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Me: 48 48 4 0 105 0 50 0 8 3 21534 42058 0 0 0 6 100 0 1735 14 4 0 0 2 3 0 0 81 49 0 2 6 0 0 3 0 45 3 5 4 14 2 10 90 70 0 1 0 0 24 1 4 2 2 2 56 0 0 6 0 0 5 6 0 0 0 0 0 0 0 0 0 4 0 36 22528 0 0 6999 0 1 0 0 0 0 0 0 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 44 44 0 0 44 0 0 4 1 0 55 55 0 0 0 0 0 0 0 0 469 0 0 0 0 0 0 0 0 2 8 4 0 0 4 0 0 0 2 0 0 0 1216 0 0 0 1 1 0 0 196 0 0 0 0 1 0 2 2 0 0 0 0 0 0 0 0 0 0 90000000 10000000 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 End
CRY06 CRY06 CRY06 CRY06 CRY06 CRY06 CRY06 CRY06 CRY06 CRY06 CRY06 CRY06 CRY06
INFORMATION FROM CRYSTAL06
B
KOHN-SHAM HAMILTONIAN
(EXCHANGE)[CORRELATION] FUNCTIONAL:(PERDEW-BURKE-ERNZERHOF)[PERDEW-BURKE-ERNZERHOF]
STRUCTURE AND SYMMETRY INFORMATION
DIRECT LATTICE VECTOR COMPONENTS (BOHR)
X Y Z
B1 0.000000000 5.131277306 5.131277306
B2 5.131277306 0.000000000 5.131277306
B3 5.131277306 5.131277306 0.000000000
***** SYMMOPS - TRANSLATORS IN BOHR
NO. 1 INVERSE 1 NO. 2 INVERSE 2
1.000 0.000 0.000 0.000 -1.000 0.000 0.000 0.000
0.000 1.000 0.000 0.000 0.000 -1.000 0.000 0.000
0.000 0.000 1.000 0.000 0.000 0.000 1.000 0.000
NO. 3 INVERSE 3 NO. 4 INVERSE 4
1.000 0.000 0.000 0.000 -1.000 0.000 0.000 0.000
0.000 -1.000 0.000 0.000 0.000 1.000 0.000 0.000
0.000 0.000 -1.000 0.000 0.000 0.000 -1.000 0.000
NO. 5 INVERSE 6 NO. 6 INVERSE 5
0.000 0.000 1.000 0.000 0.000 1.000 0.000 0.000
1.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000
0.000 1.000 0.000 0.000 1.000 0.000 0.000 0.000
NO. 7 INVERSE 8 NO. 8 INVERSE 7
0.000 0.000 -1.000 0.000 0.000 -1.000 0.000 0.000
-1.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000
0.000 1.000 0.000 0.000 -1.000 0.000 0.000 0.000
NO. 9 INVERSE 10 NO. 10 INVERSE 9
0.000 0.000 1.000 0.000 0.000 -1.000 0.000 0.000
-1.000 0.000 0.000 0.000 0.000 0.000 -1.000 0.000
0.000 -1.000 0.000 0.000 1.000 0.000 0.000 0.000
NO. 11 INVERSE 12 NO. 12 INVERSE 11
0.000 0.000 -1.000 0.000 0.000 1.000 0.000 0.000
1.000 0.000 0.000 0.000 0.000 0.000 -1.000 0.000
0.000 -1.000 0.000 0.000 -1.000 0.000 0.000 0.000
NO. 13 INVERSE 13 NO. 14 INVERSE 14
0.000 -1.000 0.000 2.566 0.000 1.000 0.000 2.566
-1.000 0.000 0.000 2.566 1.000 0.000 0.000 2.566
0.000 0.000 -1.000 2.566 0.000 0.000 -1.000 2.566
NO. 15 INVERSE 16 NO. 16 INVERSE 15
0.000 1.000 0.000 2.566 0.000 -1.000 0.000 2.566
-1.000 0.000 0.000 2.566 1.000 0.000 0.000 2.566
0.000 0.000 1.000 2.566 0.000 0.000 1.000 2.566
NO. 17 INVERSE 17 NO. 18 INVERSE 18
-1.000 0.000 0.000 2.566 0.000 0.000 -1.000 2.566
0.000 0.000 -1.000 2.566 0.000 -1.000 0.000 2.566
0.000 -1.000 0.000 2.566 -1.000 0.000 0.000 2.566
NO. 19 INVERSE 21 NO. 20 INVERSE 22
1.000 0.000 0.000 2.566 0.000 0.000 -1.000 2.566
0.000 0.000 1.000 2.566 0.000 1.000 0.000 2.566
0.000 -1.000 0.000 2.566 1.000 0.000 0.000 2.566
NO. 21 INVERSE 19 NO. 22 INVERSE 20
1.000 0.000 0.000 2.566 0.000 0.000 1.000 2.566
0.000 0.000 -1.000 2.566 0.000 1.000 0.000 2.566
0.000 1.000 0.000 2.566 -1.000 0.000 0.000 2.566
NO. 23 INVERSE 23 NO. 24 INVERSE 24
-1.000 0.000 0.000 2.566 0.000 0.000 1.000 2.566
0.000 0.000 1.000 2.566 0.000 -1.000 0.000 2.566
0.000 1.000 0.000 2.566 1.000 0.000 0.000 2.566
NO. 25 INVERSE 25 NO. 26 INVERSE 26
-1.000 0.000 0.000 2.566 1.000 0.000 0.000 2.566
0.000 -1.000 0.000 2.566 0.000 1.000 0.000 2.566
0.000 0.000 -1.000 2.566 0.000 0.000 -1.000 2.566
NO. 27 INVERSE 27 NO. 28 INVERSE 28
-1.000 0.000 0.000 2.566 1.000 0.000 0.000 2.566
0.000 1.000 0.000 2.566 0.000 -1.000 0.000 2.566
0.000 0.000 1.000 2.566 0.000 0.000 1.000 2.566
NO. 29 INVERSE 30 NO. 30 INVERSE 29
0.000 0.000 -1.000 2.566 0.000 -1.000 0.000 2.566
-1.000 0.000 0.000 2.566 0.000 0.000 -1.000 2.566
0.000 -1.000 0.000 2.566 -1.000 0.000 0.000 2.566
NO. 31 INVERSE 32 NO. 32 INVERSE 31
0.000 0.000 1.000 2.566 0.000 1.000 0.000 2.566
1.000 0.000 0.000 2.566 0.000 0.000 -1.000 2.566
0.000 -1.000 0.000 2.566 1.000 0.000 0.000 2.566
NO. 33 INVERSE 34 NO. 34 INVERSE 33
0.000 0.000 -1.000 2.566 0.000 1.000 0.000 2.566
1.000 0.000 0.000 2.566 0.000 0.000 1.000 2.566
0.000 1.000 0.000 2.566 -1.000 0.000 0.000 2.566
NO. 35 INVERSE 36 NO. 36 INVERSE 35
0.000 0.000 1.000 2.566 0.000 -1.000 0.000 2.566
-1.000 0.000 0.000 2.566 0.000 0.000 1.000 2.566
0.000 1.000 0.000 2.566 1.000 0.000 0.000 2.566
NO. 37 INVERSE 37 NO. 38 INVERSE 38
0.000 1.000 0.000 0.000 0.000 -1.000 0.000 0.000
1.000 0.000 0.000 0.000 -1.000 0.000 0.000 0.000
0.000 0.000 1.000 0.000 0.000 0.000 1.000 0.000
NO. 39 INVERSE 40 NO. 40 INVERSE 39
0.000 -1.000 0.000 0.000 0.000 1.000 0.000 0.000
1.000 0.000 0.000 0.000 -1.000 0.000 0.000 0.000
0.000 0.000 -1.000 0.000 0.000 0.000 -1.000 0.000
NO. 41 INVERSE 41 NO. 42 INVERSE 42
1.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000
0.000 0.000 1.000 0.000 0.000 1.000 0.000 0.000
0.000 1.000 0.000 0.000 1.000 0.000 0.000 0.000
NO. 43 INVERSE 45 NO. 44 INVERSE 46
-1.000 0.000 0.000 0.000 0.000 0.000 1.000 0.000
0.000 0.000 -1.000 0.000 0.000 -1.000 0.000 0.000
0.000 1.000 0.000 0.000 -1.000 0.000 0.000 0.000
NO. 45 INVERSE 43 NO. 46 INVERSE 44
-1.000 0.000 0.000 0.000 0.000 0.000 -1.000 0.000
0.000 0.000 1.000 0.000 0.000 -1.000 0.000 0.000
0.000 -1.000 0.000 0.000 1.000 0.000 0.000 0.000
NO. 47 INVERSE 47 NO. 48 INVERSE 48
1.000 0.000 0.000 0.000 0.000 0.000 -1.000 0.000
0.000 0.000 -1.000 0.000 0.000 1.000 0.000 0.000
0.000 -1.000 0.000 0.000 -1.000 0.000 0.000 0.000
POINT GROUP MULTIPLICATION TABLE
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
2 2 1 4 3 7 10 5 12 11 6 9 8 14 13 16 15 19 22 17 24
3 3 4 1 2 9 12 11 10 5 8 7 6 16 15 14 13 23 20 21 18
4 4 3 2 1 11 8 9 6 7 12 5 10 15 16 13 14 21 24 23 22
5 5 9 11 7 6 1 12 2 8 3 10 4 18 20 22 24 13 17 16 21
6 6 8 10 12 1 5 4 9 2 11 3 7 17 21 23 19 18 13 24 14
7 7 11 9 5 10 2 8 1 12 4 6 3 22 24 18 20 14 19 15 23
8 8 6 12 10 4 11 1 7 3 5 2 9 21 17 19 23 24 15 18 16
9 9 5 7 11 12 3 6 4 10 1 8 2 20 18 24 22 16 23 13 19
10 10 12 6 8 2 7 3 11 1 9 4 5 19 23 21 17 22 14 20 13
11 11 7 5 9 8 4 10 3 6 2 12 1 24 22 20 18 15 21 14 17
12 12 10 8 6 3 9 2 5 4 7 1 11 23 19 17 21 20 16 22 15
13 13 14 15 16 17 18 19 20 21 22 23 24 1 2 3 4 5 6 7 8
14 14 13 16 15 19 22 17 24 23 18 21 20 2 1 4 3 7 10 5 12
15 15 16 13 14 21 24 23 22 17 20 19 18 4 3 2 1 11 8 9 6
16 16 15 14 13 23 20 21 18 19 24 17 22 3 4 1 2 9 12 11 10
17 17 21 23 19 18 13 24 14 20 15 22 16 6 8 10 12 1 5 4 9
18 18 20 22 24 13 17 16 21 14 23 15 19 5 9 11 7 6 1 12 2
19 19 23 21 17 22 14 20 13 24 16 18 15 10 12 6 8 2 7 3 11
20 20 18 24 22 16 23 13 19 15 17 14 21 9 5 7 11 12 3 6 4
21 21 17 19 23 24 15 18 16 22 13 20 14 8 6 12 10 4 11 1 7
22 22 24 18 20 14 19 15 23 13 21 16 17 7 11 9 5 10 2 8 1
23 23 19 17 21 20 16 22 15 18 14 24 13 12 10 8 6 3 9 2 5
24 24 22 20 18 15 21 14 17 16 19 13 23 11 7 5 9 8 4 10 3
25 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44
26 26 25 28 27 31 34 29 36 35 30 33 32 38 37 40 39 43 46 41 48
27 27 28 25 26 33 36 35 34 29 32 31 30 40 39 38 37 47 44 45 42
28 28 27 26 25 35 32 33 30 31 36 29 34 39 40 37 38 45 48 47 46
29 29 33 35 31 30 25 36 26 32 27 34 28 42 44 46 48 37 41 40 45
30 30 32 34 36 25 29 28 33 26 35 27 31 41 45 47 43 42 37 48 38
31 31 35 33 29 34 26 32 25 36 28 30 27 46 48 42 44 38 43 39 47
32 32 30 36 34 28 35 25 31 27 29 26 33 45 41 43 47 48 39 42 40
33 33 29 31 35 36 27 30 28 34 25 32 26 44 42 48 46 40 47 37 43
34 34 36 30 32 26 31 27 35 25 33 28 29 43 47 45 41 46 38 44 37
35 35 31 29 33 32 28 34 27 30 26 36 25 48 46 44 42 39 45 38 41
36 36 34 32 30 27 33 26 29 28 31 25 35 47 43 41 45 44 40 46 39
37 37 38 39 40 41 42 43 44 45 46 47 48 25 26 27 28 29 30 31 32
38 38 37 40 39 43 46 41 48 47 42 45 44 26 25 28 27 31 34 29 36
39 39 40 37 38 45 48 47 46 41 44 43 42 28 27 26 25 35 32 33 30
40 40 39 38 37 47 44 45 42 43 48 41 46 27 28 25 26 33 36 35 34
41 41 45 47 43 42 37 48 38 44 39 46 40 30 32 34 36 25 29 28 33
42 42 44 46 48 37 41 40 45 38 47 39 43 29 33 35 31 30 25 36 26
43 43 47 45 41 46 38 44 37 48 40 42 39 34 36 30 32 26 31 27 35
44 44 42 48 46 40 47 37 43 39 41 38 45 33 29 31 35 36 27 30 28
45 45 41 43 47 48 39 42 40 46 37 44 38 32 30 36 34 28 35 25 31
46 46 48 42 44 38 43 39 47 37 45 40 41 31 35 33 29 34 26 32 25
47 47 43 41 45 44 40 46 39 42 38 48 37 36 34 32 30 27 33 26 29
48 48 46 44 42 39 45 38 41 40 43 37 47 35 31 29 33 32 28 34 27
21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40
1 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40
2 23 18 21 20 26 25 28 27 31 34 29 36 35 30 33 32 38 37 40 39
3 19 24 17 22 27 28 25 26 33 36 35 34 29 32 31 30 40 39 38 37
4 17 20 19 18 28 27 26 25 35 32 33 30 31 36 29 34 39 40 37 38
5 14 23 15 19 29 33 35 31 30 25 36 26 32 27 34 28 42 44 46 48
6 20 15 22 16 30 32 34 36 25 29 28 33 26 35 27 31 41 45 47 43
7 13 21 16 17 31 35 33 29 34 26 32 25 36 28 30 27 46 48 42 44
8 22 13 20 14 32 30 36 34 28 35 25 31 27 29 26 33 45 41 43 47
9 15 17 14 21 33 29 31 35 36 27 30 28 34 25 32 26 44 42 48 46
10 24 16 18 15 34 36 30 32 26 31 27 35 25 33 28 29 43 47 45 41
11 16 19 13 23 35 31 29 33 32 28 34 27 30 26 36 25 48 46 44 42
12 18 14 24 13 36 34 32 30 27 33 26 29 28 31 25 35 47 43 41 45
13 9 10 11 12 37 38 39 40 41 42 43 44 45 46 47 48 25 26 27 28
14 11 6 9 8 38 37 40 39 43 46 41 48 47 42 45 44 26 25 28 27
15 7 12 5 10 39 40 37 38 45 48 47 46 41 44 43 42 28 27 26 25
16 5 8 7 6 40 39 38 37 47 44 45 42 43 48 41 46 27 28 25 26
17 2 11 3 7 41 45 47 43 42 37 48 38 44 39 46 40 30 32 34 36
18 8 3 10 4 42 44 46 48 37 41 40 45 38 47 39 43 29 33 35 31
19 1 9 4 5 43 47 45 41 46 38 44 37 48 40 42 39 34 36 30 32
20 10 1 8 2 44 42 48 46 40 47 37 43 39 41 38 45 33 29 31 35
21 3 5 2 9 45 41 43 47 48 39 42 40 46 37 44 38 32 30 36 34
22 12 4 6 3 46 48 42 44 38 43 39 47 37 45 40 41 31 35 33 29
23 4 7 1 11 47 43 41 45 44 40 46 39 42 38 48 37 36 34 32 30
24 6 2 12 1 48 46 44 42 39 45 38 41 40 43 37 47 35 31 29 33
25 45 46 47 48 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
26 47 42 45 44 2 1 4 3 7 10 5 12 11 6 9 8 14 13 16 15
27 43 48 41 46 3 4 1 2 9 12 11 10 5 8 7 6 16 15 14 13
28 41 44 43 42 4 3 2 1 11 8 9 6 7 12 5 10 15 16 13 14
29 38 47 39 43 5 9 11 7 6 1 12 2 8 3 10 4 18 20 22 24
30 44 39 46 40 6 8 10 12 1 5 4 9 2 11 3 7 17 21 23 19
31 37 45 40 41 7 11 9 5 10 2 8 1 12 4 6 3 22 24 18 20
32 46 37 44 38 8 6 12 10 4 11 1 7 3 5 2 9 21 17 19 23
33 39 41 38 45 9 5 7 11 12 3 6 4 10 1 8 2 20 18 24 22
34 48 40 42 39 10 12 6 8 2 7 3 11 1 9 4 5 19 23 21 17
35 40 43 37 47 11 7 5 9 8 4 10 3 6 2 12 1 24 22 20 18
36 42 38 48 37 12 10 8 6 3 9 2 5 4 7 1 11 23 19 17 21
37 33 34 35 36 13 14 15 16 17 18 19 20 21 22 23 24 1 2 3 4
38 35 30 33 32 14 13 16 15 19 22 17 24 23 18 21 20 2 1 4 3
39 31 36 29 34 15 16 13 14 21 24 23 22 17 20 19 18 4 3 2 1
40 29 32 31 30 16 15 14 13 23 20 21 18 19 24 17 22 3 4 1 2
41 26 35 27 31 17 21 23 19 18 13 24 14 20 15 22 16 6 8 10 12
42 32 27 34 28 18 20 22 24 13 17 16 21 14 23 15 19 5 9 11 7
43 25 33 28 29 19 23 21 17 22 14 20 13 24 16 18 15 10 12 6 8
44 34 25 32 26 20 18 24 22 16 23 13 19 15 17 14 21 9 5 7 11
45 27 29 26 33 21 17 19 23 24 15 18 16 22 13 20 14 8 6 12 10
46 36 28 30 27 22 24 18 20 14 19 15 23 13 21 16 17 7 11 9 5
47 28 31 25 35 23 19 17 21 20 16 22 15 18 14 24 13 12 10 8 6
48 30 26 36 25 24 22 20 18 15 21 14 17 16 19 13 23 11 7 5 9
41 42 43 44 45 46 47 48
1 41 42 43 44 45 46 47 48
2 43 46 41 48 47 42 45 44
3 47 44 45 42 43 48 41 46
4 45 48 47 46 41 44 43 42
5 37 41 40 45 38 47 39 43
6 42 37 48 38 44 39 46 40
7 38 43 39 47 37 45 40 41
8 48 39 42 40 46 37 44 38
9 40 47 37 43 39 41 38 45
10 46 38 44 37 48 40 42 39
11 39 45 38 41 40 43 37 47
12 44 40 46 39 42 38 48 37
13 29 30 31 32 33 34 35 36
14 31 34 29 36 35 30 33 32
15 35 32 33 30 31 36 29 34
16 33 36 35 34 29 32 31 30
17 25 29 28 33 26 35 27 31
18 30 25 36 26 32 27 34 28
19 26 31 27 35 25 33 28 29
20 36 27 30 28 34 25 32 26
21 28 35 25 31 27 29 26 33
22 34 26 32 25 36 28 30 27
23 27 33 26 29 28 31 25 35
24 32 28 34 27 30 26 36 25
25 17 18 19 20 21 22 23 24
26 19 22 17 24 23 18 21 20
27 23 20 21 18 19 24 17 22
28 21 24 23 22 17 20 19 18
29 13 17 16 21 14 23 15 19
30 18 13 24 14 20 15 22 16
31 14 19 15 23 13 21 16 17
32 24 15 18 16 22 13 20 14
33 16 23 13 19 15 17 14 21
34 22 14 20 13 24 16 18 15
35 15 21 14 17 16 19 13 23
36 20 16 22 15 18 14 24 13
37 5 6 7 8 9 10 11 12
38 7 10 5 12 11 6 9 8
39 11 8 9 6 7 12 5 10
40 9 12 11 10 5 8 7 6
41 1 5 4 9 2 11 3 7
42 6 1 12 2 8 3 10 4
43 2 7 3 11 1 9 4 5
44 12 3 6 4 10 1 8 2
45 4 11 1 7 3 5 2 9
46 10 2 8 1 12 4 6 3
47 3 9 2 5 4 7 1 11
48 8 4 10 3 6 2 12 1
NO.OF G VECTORS 6999 STARS 105 RMAX 76.79793 AU
STAR N. 1 N. OF VECTORS 1 R= 0.0000000E+00
LG I(LG) LX LY LZ X Y Z
1 1 0 0 0 0.000000 0.000000 0.000000
STAR N. 2 N. OF VECTORS 12 R= 7.2567220E+00
LG I(LG) LX LY LZ X Y Z
2 3 -1 0 0 0.000000 -5.131277 -5.131277
3 2 1 0 0 0.000000 5.131277 5.131277
4 5 -1 0 1 5.131277 0.000000 -5.131277
5 4 1 0 -1 -5.131277 0.000000 5.131277
6 7 -1 1 0 5.131277 -5.131277 0.000000
7 6 1 -1 0 -5.131277 5.131277 0.000000
8 9 0 -1 0 -5.131277 0.000000 -5.131277
9 8 0 1 0 5.131277 0.000000 5.131277
10 11 0 -1 1 0.000000 5.131277 -5.131277
11 10 0 1 -1 0.000000 -5.131277 5.131277
12 13 0 0 -1 -5.131277 -5.131277 0.000000
13 12 0 0 1 5.131277 5.131277 0.000000
STAR N. 3 N. OF VECTORS 6 R= 1.0262555E+01
LG I(LG) LX LY LZ X Y Z
14 15 -1 -1 1 0.000000 0.000000 -10.262555
15 14 1 1 -1 0.000000 0.000000 10.262555
16 17 -1 1 -1 0.000000 -10.262555 0.000000
17 16 1 -1 1 0.000000 10.262555 0.000000
18 19 -1 1 1 10.262555 0.000000 0.000000
19 18 1 -1 -1 -10.262555 0.000000 0.000000
ATOM CARTESIAN COORDINATES (BOHR) - PRIMITIVE CELL
*******************************************************************************
* ATOM X Y Z
*******************************************************************************
1 214 SI 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
2 214 SI 2.565638653187E+00 -2.565638653187E+00 -2.565638653187E+00
*******************************************************************************
VARIATIONAL BASIS SET
*******************************************************************************
LOCAL ATOMIC FUNCTIONS BASIS SET
*******************************************************************************
ATOM X(AU) Y(AU) Z(AU) NO. TYPE EXPONENT S COEF P COEF D/F/G COEF
*******************************************************************************
1 SI 0.000 0.000 0.000
1 S
2.827E-01 9.002E-01 0.000E+00 0.000E+00
6.141E-01-8.056E-03 0.000E+00 0.000E+00
1.334E+00-1.665E+00 0.000E+00 0.000E+00
2.899E+00 3.547E-01 0.000E+00 0.000E+00
6.297E+00-2.107E-03 0.000E+00 0.000E+00
1.368E+01-5.159E-03 0.000E+00 0.000E+00
2.972E+01 4.266E-03 0.000E+00 0.000E+00
2 S
5.075E-01 1.042E+00 0.000E+00 0.000E+00
3- 5 P
3.308E-01 0.000E+00 7.861E-01 0.000E+00
6.897E-01 0.000E+00 4.885E-01 0.000E+00
1.438E+00 0.000E+00-9.859E-01 0.000E+00
2.997E+00 0.000E+00 3.263E-02 0.000E+00
6.247E+00 0.000E+00-2.845E-02 0.000E+00
1.302E+01 0.000E+00-6.053E-03 0.000E+00
6- 8 P
1.468E-01 0.000E+00 3.149E-01 0.000E+00
9- 13 D
1.704E-01 0.000E+00 0.000E+00 1.809E-01
14- 18 D
5.398E-01 0.000E+00 0.000E+00 1.361E+00
19- 25 F
3.530E-01 0.000E+00 0.000E+00 3.439E-01
2 SI 2.566 -2.566 -2.566
*******************************************************************************
*******************************************************************************
*** PSEUDOPOTENTIAL INFORMATION ***
*******************************************************************************
ATOMIC NUMBER 14, NUCLEAR CHARGE 4.000
PSEUDOPOTENTIAL
TYPE EXPONENT COEFF. N EXPONENT COEFF. N
W0 TMS 1.8072106 4.0000000 1 9.9963309 7.2288425 -1
2.5004323 -13.0672559 0
P0 TMS 2.2668640 21.2053161 0
P1 TMS 2.1165966 15.4369360 0
ATOMIC NUMBER 14, NUCLEAR CHARGE 4.000
PSEUDOPOTENTIAL
TYPE EXPONENT COEFF. N EXPONENT COEFF. N
MULLIKEN ATOMIC CHARGES
1 SI ZNUC 4.000 QTOT 4.000 2 SI ZNUC 4.000 QTOT 4.000
DENSITY MATRIX DIRECT LATTICE - G=0
ALPHA+BETA ELECTRONS
1 2 3 4 5 6 7 8 9 10
1 2.3777E-01 6.4108E-02 -7.2280E-20 -7.2280E-20 0.0000E+00 1.4456E-19 1.4456E-19 0.0000E+00 5.4210E-19 1.4456E-19
2 6.4108E-02 1.8748E-02 -1.8070E-20 -1.8070E-20 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 4.5175E-20 1.8070E-20
3 -7.2280E-20 -1.8070E-20 9.8301E-02 0.0000E+00 0.0000E+00 1.4198E-01 0.0000E+00 0.0000E+00 5.4210E-20 1.8070E-20
4 -7.2280E-20 -1.8070E-20 0.0000E+00 9.8301E-02 7.2280E-20 0.0000E+00 1.4198E-01 -7.2280E-20 3.6140E-20 2.3173E-02
5 0.0000E+00 0.0000E+00 0.0000E+00 7.2280E-20 9.8301E-02 0.0000E+00 -7.2280E-20 1.4198E-01 0.0000E+00 -1.8070E-20
6 1.4456E-19 0.0000E+00 1.4198E-01 0.0000E+00 0.0000E+00 2.8804E-01 0.0000E+00 -1.4456E-19 0.0000E+00 0.0000E+00
7 1.4456E-19 0.0000E+00 0.0000E+00 1.4198E-01 -7.2280E-20 0.0000E+00 2.8804E-01 -1.4456E-19 0.0000E+00 6.4612E-02
8 0.0000E+00 0.0000E+00 0.0000E+00 -7.2280E-20 1.4198E-01 -1.4456E-19 -1.4456E-19 2.8804E-01 -3.6140E-20 0.0000E+00
9 5.4210E-19 4.5175E-20 5.4210E-20 3.6140E-20 0.0000E+00 0.0000E+00 0.0000E+00 -3.6140E-20 3.0276E-03 4.5175E-21
10 1.4456E-19 1.8070E-20 1.8070E-20 2.3173E-02 -1.8070E-20 0.0000E+00 6.4612E-02 0.0000E+00 4.5175E-21 2.0598E-02
11 -1.4456E-19 -1.8070E-20 2.3173E-02 1.8070E-20 1.8070E-20 6.4612E-02 0.0000E+00 -7.2280E-20 -1.1294E-20 -3.6140E-20
12 0.0000E+00 0.0000E+00 -7.2280E-20 1.8070E-20 0.0000E+00 3.2526E-19 -1.6263E-19 0.0000E+00 -6.7763E-21 6.7763E-21
13 1.4456E-19 1.8070E-20 3.6140E-20 0.0000E+00 2.3173E-02 -7.2280E-20 0.0000E+00 6.4612E-02 -7.6798E-20 1.8070E-20
14 -1.4456E-19 3.6140E-20 1.8070E-20 9.0350E-21 1.8070E-20 6.3245E-20 7.2280E-20 0.0000E+00 1.0052E-03 4.5175E-21
15 0.0000E+00 1.1294E-21 3.6140E-20 1.7424E-02 -3.6140E-20 1.8070E-20 2.7085E-02 -9.0350E-21 0.0000E+00 6.0196E-03
16 0.0000E+00 -1.1294E-21 1.7424E-02 3.6140E-20 3.6140E-20 2.7085E-02 1.8070E-20 2.7105E-20 0.0000E+00 -1.1294E-21
17 0.0000E+00 0.0000E+00 9.0350E-21 2.2588E-20 0.0000E+00 5.4210E-20 9.0350E-21 0.0000E+00 0.0000E+00 -2.2588E-21
18 0.0000E+00 1.1294E-21 5.4210E-20 -3.6140E-20 1.7424E-02 9.0350E-21 -2.7105E-20 2.7085E-02 4.5175E-21 1.1294E-21
19 -9.0350E-21 2.8234E-20 0.0000E+00 0.0000E+00 -2.6668E-03 3.3881E-21 0.0000E+00 -9.4479E-03 6.2204E-22 -1.8070E-20
20 1.2296E-20 -2.5046E-21 1.6330E-03 2.7105E-20 -1.8070E-20 5.7857E-03 0.0000E+00 3.6140E-20 9.0350E-21 -7.9056E-21
21 1.8070E-20 1.1294E-21 9.0350E-21 1.6330E-03 -4.5175E-21 -3.3881E-21 5.7857E-03 3.6140E-20 5.9998E-21 1.8844E-03
22 0.0000E+00 0.0000E+00 -1.3553E-20 -1.1294E-20 1.1294E-21 4.0658E-20 -7.2280E-20 -4.5175E-21 -1.2220E-21 -4.5175E-21
23 -8.7785E-03 -2.3510E-03 -9.0350E-21 9.0350E-21 9.0350E-21 -1.8070E-20 1.8070E-20 9.0350E-21 2.2588E-21 -7.0586E-23
24 1.1451E-20 -2.2557E-21 -2.1083E-03 -9.0350E-21 4.5175E-21 -7.4693E-03 4.5175E-20 9.0350E-21 6.7763E-21 1.1294E-21
25 -6.7763E-21 1.6941E-21 9.0350E-21 2.1083E-03 -4.5175E-21 -2.4846E-20 7.4693E-03 9.0350E-21 1.8066E-21 2.4327E-03
26 7.2132E-02 2.4731E-02 1.2080E-02 -1.2080E-02 -1.2080E-02 7.8428E-02 -7.8428E-02 -7.8428E-02 0.0000E+00 -2.7176E-02
27 2.4731E-02 9.2728E-03 3.0658E-03 -3.0658E-03 -3.0658E-03 1.7873E-02 -1.7873E-02 -1.7873E-02 0.0000E+00 -6.0102E-03
28 -1.2080E-02 -3.0658E-03 -4.0720E-02 2.6929E-02 2.6929E-02 -4.7478E-02 4.0959E-02 4.0959E-02 -2.9140E-03 3.9305E-03
29 1.2080E-02 3.0658E-03 2.6929E-02 -4.0720E-02 -2.6929E-02 4.0959E-02 -4.7478E-02 -4.0959E-02 2.9140E-03 -1.1780E-02
30 1.2080E-02 3.0658E-03 2.6929E-02 -2.6929E-02 -4.0720E-02 4.0959E-02 -4.0959E-02 -4.7478E-02 -5.8279E-03 -3.9305E-03
31 -7.8428E-02 -1.7873E-02 -4.7478E-02 4.0959E-02 4.0959E-02 -7.6171E-02 4.0142E-02 4.0142E-02 -5.9516E-03 -3.6506E-03
32 7.8428E-02 1.7873E-02 4.0959E-02 -4.7478E-02 -4.0959E-02 4.0142E-02 -7.6171E-02 -4.0142E-02 5.9516E-03 -2.3360E-02
33 7.8428E-02 1.7873E-02 4.0959E-02 -4.0959E-02 -4.7478E-02 4.0142E-02 -4.0142E-02 -7.6171E-02 -1.1903E-02 3.6506E-03
34 0.0000E+00 0.0000E+00 2.9140E-03 -2.9140E-03 5.8279E-03 5.9516E-03 -5.9516E-03 1.1903E-02 9.3220E-04 -1.5988E-03
35 -2.7176E-02 -6.0102E-03 -3.9305E-03 1.1780E-02 3.9305E-03 3.6506E-03 2.3360E-02 -3.6506E-03 -1.5988E-03 8.0471E-03
36 2.7176E-02 6.0102E-03 1.1780E-02 -3.9305E-03 -3.9305E-03 2.3360E-02 3.6506E-03 3.6506E-03 1.5988E-03 3.1582E-03
37 0.0000E+00 0.0000E+00 -5.0471E-03 -5.0471E-03 0.0000E+00 -1.0309E-02 -1.0309E-02 0.0000E+00 0.0000E+00 -2.7693E-03
38 -2.7176E-02 -6.0102E-03 -3.9305E-03 3.9305E-03 1.1780E-02 3.6506E-03 -3.6506E-03 2.3360E-02 3.1977E-03 -3.1582E-03
39 0.0000E+00 0.0000E+00 1.1112E-03 -1.1112E-03 2.2224E-03 1.8146E-03 -1.8146E-03 3.6292E-03 4.0242E-04 -3.8980E-04
40 -3.6466E-03 -8.2619E-04 -3.7102E-03 9.4191E-03 3.7102E-03 -4.2697E-03 1.2502E-02 4.2697E-03 -5.8173E-04 3.4838E-03
41 3.6466E-03 8.2619E-04 9.4191E-03 -3.7102E-03 -3.7102E-03 1.2502E-02 -4.2697E-03 -4.2697E-03 5.8173E-04 -1.2536E-04
42 0.0000E+00 0.0000E+00 -1.9246E-03 -1.9246E-03 0.0000E+00 -3.1430E-03 -3.1430E-03 0.0000E+00 0.0000E+00 -6.7515E-04
43 -3.6466E-03 -8.2619E-04 -3.7102E-03 3.7102E-03 9.4191E-03 -4.2697E-03 4.2697E-03 1.2502E-02 1.1635E-03 1.2536E-04
44 -4.7063E-03 -1.0439E-03 -5.3894E-04 5.3894E-04 9.5747E-04 7.7097E-04 -7.7097E-04 2.6728E-03 5.3992E-04 -5.3855E-04
45 -2.8820E-03 -6.3924E-04 -5.8633E-04 2.2768E-03 -1.6167E-03 -1.6368E-03 2.2397E-03 -3.1840E-03 3.4231E-05 -8.5915E-05
46 2.8820E-03 6.3924E-04 2.2768E-03 -5.8633E-04 1.6167E-03 2.2397E-03 -1.6368E-03 3.1840E-03 -3.4231E-05 -5.6838E-04
47 0.0000E+00 0.0000E+00 -2.4624E-03 -2.4624E-03 0.0000E+00 -3.4303E-03 -3.4303E-03 -4.5175E-21 -1.0367E-21 -3.0849E-04
48 4.0428E-04 2.4167E-04 7.9068E-04 -7.9068E-04 -7.9068E-04 3.3191E-03 -3.3191E-03 -3.3191E-03 0.0000E+00 -9.3174E-04
49 3.7207E-03 8.2526E-04 7.5695E-04 1.0819E-03 -1.9340E-03 2.1131E-03 2.7101E-03 -1.4911E-03 3.6799E-04 6.1467E-04
50 3.7207E-03 8.2526E-04 -1.0819E-03 -7.5695E-04 -1.9340E-03 -2.7101E-03 -2.1131E-03 -1.4911E-03 3.6799E-04 -7.3377E-04
11 12 13 14 15 16 17 18 19 20
1 -1.4456E-19 0.0000E+00 1.4456E-19 -1.4456E-19 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -9.0350E-21 1.2296E-20
2 -1.8070E-20 0.0000E+00 1.8070E-20 3.6140E-20 1.1294E-21 -1.1294E-21 0.0000E+00 1.1294E-21 2.8234E-20 -2.5046E-21
3 2.3173E-02 -7.2280E-20 3.6140E-20 1.8070E-20 3.6140E-20 1.7424E-02 9.0350E-21 5.4210E-20 0.0000E+00 1.6330E-03
4 1.8070E-20 1.8070E-20 0.0000E+00 9.0350E-21 1.7424E-02 3.6140E-20 2.2588E-20 -3.6140E-20 0.0000E+00 2.7105E-20
5 1.8070E-20 0.0000E+00 2.3173E-02 1.8070E-20 -3.6140E-20 3.6140E-20 0.0000E+00 1.7424E-02 -2.6668E-03 -1.8070E-20
6 6.4612E-02 3.2526E-19 -7.2280E-20 6.3245E-20 1.8070E-20 2.7085E-02 5.4210E-20 9.0350E-21 3.3881E-21 5.7857E-03
7 0.0000E+00 -1.6263E-19 0.0000E+00 7.2280E-20 2.7085E-02 1.8070E-20 9.0350E-21 -2.7105E-20 0.0000E+00 0.0000E+00
8 -7.2280E-20 0.0000E+00 6.4612E-02 0.0000E+00 -9.0350E-21 2.7105E-20 0.0000E+00 2.7085E-02 -9.4479E-03 3.6140E-20
9 -1.1294E-20 -6.7763E-21 -7.6798E-20 1.0052E-03 0.0000E+00 0.0000E+00 0.0000E+00 4.5175E-21 6.2204E-22 9.0350E-21
10 -3.6140E-20 6.7763E-21 1.8070E-20 4.5175E-21 6.0196E-03 -1.1294E-21 -2.2588E-21 1.1294E-21 -1.8070E-20 -7.9056E-21
11 2.0598E-02 1.3553E-20 -5.4210E-20 -4.5175E-21 -1.1294E-21 6.0196E-03 0.0000E+00 -1.1294E-21 6.7763E-21 1.8844E-03
12 1.3553E-20 3.0276E-03 0.0000E+00 0.0000E+00 6.7763E-21 1.8070E-20 1.0052E-03 0.0000E+00 -1.3235E-22 -2.2588E-21
13 -5.4210E-20 0.0000E+00 2.0598E-02 -2.2588E-21 0.0000E+00 -2.2588E-21 0.0000E+00 6.0196E-03 -3.0772E-03 4.5175E-21
14 -4.5175E-21 0.0000E+00 -2.2588E-21 3.8196E-04 -4.5175E-21 -3.3881E-21 0.0000E+00 -2.2588E-21 5.0557E-21 5.6469E-21
15 -1.1294E-21 6.7763E-21 0.0000E+00 -4.5175E-21 3.5865E-03 0.0000E+00 4.5175E-21 2.2588E-21 0.0000E+00 1.1294E-21
16 6.0196E-03 1.8070E-20 -2.2588E-21 -3.3881E-21 0.0000E+00 3.5865E-03 0.0000E+00 2.2588E-21 0.0000E+00 4.3484E-04
17 0.0000E+00 1.0052E-03 0.0000E+00 0.0000E+00 4.5175E-21 0.0000E+00 3.8196E-04 0.0000E+00 -4.3013E-23 -5.6469E-22
18 -1.1294E-21 0.0000E+00 6.0196E-03 -2.2588E-21 2.2588E-21 2.2588E-21 0.0000E+00 3.5865E-03 -7.1010E-04 -6.7763E-21
19 6.7763E-21 -1.3235E-22 -3.0772E-03 5.0557E-21 0.0000E+00 0.0000E+00 -4.3013E-23 -7.1010E-04 5.0026E-04 1.2033E-21
20 1.8844E-03 -2.2588E-21 4.5175E-21 5.6469E-21 1.1294E-21 4.3484E-04 -5.6469E-22 -6.7763E-21 2.1507E-22 4.3716E-04
21 -9.0350E-21 1.5485E-21 0.0000E+00 3.6330E-21 4.3484E-04 2.2588E-21 1.2540E-21 2.2588E-21 -5.6469E-22 6.1763E-23
22 -2.2588E-21 -2.6404E-21 0.0000E+00 -2.1396E-22 -1.1858E-20 0.0000E+00 -1.2606E-21 5.6469E-22 -5.6469E-22 5.0072E-22
23 7.0586E-23 0.0000E+00 -7.0586E-23 2.8234E-22 2.8234E-22 -2.8234E-22 0.0000E+00 2.8234E-22 -3.5293E-23 -8.2152E-24
24 -2.4327E-03 -1.1294E-21 -9.0350E-21 -1.1294E-21 2.2588E-21 -5.6138E-04 2.8234E-22 1.1294E-21 5.0160E-21 -4.8884E-05
25 -1.9199E-20 -7.6873E-22 1.0164E-20 1.2005E-21 5.6138E-04 -2.1176E-21 2.9392E-22 -8.4703E-22 -4.6587E-21 1.1332E-21
26 2.7176E-02 0.0000E+00 -2.7176E-02 0.0000E+00 -3.6466E-03 3.6466E-03 0.0000E+00 -3.6466E-03 4.7063E-03 2.8820E-03
27 6.0102E-03 0.0000E+00 -6.0102E-03 0.0000E+00 -8.2619E-04 8.2619E-04 0.0000E+00 -8.2619E-04 1.0439E-03 6.3924E-04
28 -1.1780E-02 5.0471E-03 3.9305E-03 -1.1112E-03 3.7102E-03 -9.4191E-03 1.9246E-03 3.7102E-03 -5.3894E-04 -5.8633E-04
29 3.9305E-03 5.0471E-03 -3.9305E-03 1.1112E-03 -9.4191E-03 3.7102E-03 1.9246E-03 -3.7102E-03 5.3894E-04 2.2768E-03
30 3.9305E-03 0.0000E+00 -1.1780E-02 -2.2224E-03 -3.7102E-03 3.7102E-03 0.0000E+00 -9.4191E-03 9.5747E-04 -1.6167E-03
31 -2.3360E-02 1.0309E-02 -3.6506E-03 -1.8146E-03 4.2697E-03 -1.2502E-02 3.1430E-03 4.2697E-03 7.7097E-04 -1.6368E-03
32 -3.6506E-03 1.0309E-02 3.6506E-03 1.8146E-03 -1.2502E-02 4.2697E-03 3.1430E-03 -4.2697E-03 -7.7097E-04 2.2397E-03
33 -3.6506E-03 0.0000E+00 -2.3360E-02 -3.6292E-03 -4.2697E-03 4.2697E-03 0.0000E+00 -1.2502E-02 2.6728E-03 -3.1840E-03
34 1.5988E-03 0.0000E+00 3.1977E-03 4.0242E-04 -5.8173E-04 5.8173E-04 0.0000E+00 1.1635E-03 -5.3992E-04 -3.4231E-05
35 3.1582E-03 -2.7693E-03 -3.1582E-03 -3.8980E-04 3.4838E-03 -1.2536E-04 -6.7515E-04 1.2536E-04 5.3855E-04 8.5915E-05
36 8.0471E-03 -2.7693E-03 3.1582E-03 3.8980E-04 -1.2536E-04 3.4838E-03 -6.7515E-04 -1.2536E-04 -5.3855E-04 5.6838E-04
37 -2.7693E-03 9.3220E-04 0.0000E+00 0.0000E+00 -1.0076E-03 -1.0076E-03 4.0242E-04 0.0000E+00 1.3235E-22 -4.0154E-04
38 3.1582E-03 0.0000E+00 8.0471E-03 7.7960E-04 1.2536E-04 -1.2536E-04 0.0000E+00 3.4838E-03 -9.2816E-04 5.7368E-04
39 3.8980E-04 0.0000E+00 7.7960E-04 1.7372E-04 -2.0938E-04 2.0938E-04 0.0000E+00 4.1877E-04 -1.2725E-04 -4.7180E-05
40 -1.2536E-04 -1.0076E-03 1.2536E-04 -2.0938E-04 2.3051E-03 -4.9824E-04 -3.6266E-04 4.9824E-04 -5.1356E-06 -2.8343E-04
41 3.4838E-03 -1.0076E-03 -1.2536E-04 2.0938E-04 -4.9824E-04 2.3051E-03 -3.6266E-04 -4.9824E-04 5.1356E-06 1.8837E-04
42 -6.7515E-04 4.0242E-04 0.0000E+00 0.0000E+00 -3.6266E-04 -3.6266E-04 1.7372E-04 0.0000E+00 4.3013E-23 -1.1722E-04
43 -1.2536E-04 0.0000E+00 3.4838E-03 4.1877E-04 4.9824E-04 -4.9824E-04 0.0000E+00 2.3051E-03 -3.0760E-04 2.7714E-04
44 5.3855E-04 1.3235E-22 9.2816E-04 1.2725E-04 5.1356E-06 -5.1356E-06 4.3013E-23 3.0760E-04 -1.3028E-04 8.6690E-05
45 -5.6838E-04 4.0154E-04 -5.7368E-04 4.7180E-05 2.8343E-04 -1.8837E-04 1.1722E-04 -2.7714E-04 8.6690E-05 -1.0581E-04
46 -8.5915E-05 4.0154E-04 5.7368E-04 -4.7180E-05 -1.8837E-04 2.8343E-04 1.1722E-04 2.7714E-04 -8.6690E-05 4.3152E-05
47 -3.0849E-04 -2.9146E-04 0.0000E+00 -3.5072E-22 -3.5454E-04 -3.5454E-04 -1.2582E-04 0.0000E+00 -2.8234E-22 2.5784E-05
48 9.3174E-04 0.0000E+00 -9.3174E-04 0.0000E+00 -1.4313E-04 1.4313E-04 0.0000E+00 -1.4313E-04 1.6351E-04 1.0013E-04
49 7.3377E-04 -2.8042E-04 2.3686E-04 1.1702E-04 2.1305E-04 2.4318E-04 -4.8597E-05 -2.2117E-04 -4.7950E-05 1.8954E-05
50 -6.1467E-04 2.8042E-04 2.3686E-04 1.1702E-04 -2.4318E-04 -2.1305E-04 4.8597E-05 -2.2117E-04 -4.7950E-05 -6.4738E-05
21 22 23 24 25 26 27 28 29 30
1 1.8070E-20 0.0000E+00 -8.7785E-03 1.1451E-20 -6.7763E-21 7.2132E-02 2.4731E-02 -1.2080E-02 1.2080E-02 1.2080E-02
2 1.1294E-21 0.0000E+00 -2.3510E-03 -2.2557E-21 1.6941E-21 2.4731E-02 9.2728E-03 -3.0658E-03 3.0658E-03 3.0658E-03
3 9.0350E-21 -1.3553E-20 -9.0350E-21 -2.1083E-03 9.0350E-21 1.2080E-02 3.0658E-03 -4.0720E-02 2.6929E-02 2.6929E-02
4 1.6330E-03 -1.1294E-20 9.0350E-21 -9.0350E-21 2.1083E-03 -1.2080E-02 -3.0658E-03 2.6929E-02 -4.0720E-02 -2.6929E-02
5 -4.5175E-21 1.1294E-21 9.0350E-21 4.5175E-21 -4.5175E-21 -1.2080E-02 -3.0658E-03 2.6929E-02 -2.6929E-02 -4.0720E-02
6 -3.3881E-21 4.0658E-20 -1.8070E-20 -7.4693E-03 -2.4846E-20 7.8428E-02 1.7873E-02 -4.7478E-02 4.0959E-02 4.0959E-02
7 5.7857E-03 -7.2280E-20 1.8070E-20 4.5175E-20 7.4693E-03 -7.8428E-02 -1.7873E-02 4.0959E-02 -4.7478E-02 -4.0959E-02
8 3.6140E-20 -4.5175E-21 9.0350E-21 9.0350E-21 9.0350E-21 -7.8428E-02 -1.7873E-02 4.0959E-02 -4.0959E-02 -4.7478E-02
9 5.9998E-21 -1.2220E-21 2.2588E-21 6.7763E-21 1.8066E-21 0.0000E+00 0.0000E+00 -2.9140E-03 2.9140E-03 -5.8279E-03
10 1.8844E-03 -4.5175E-21 -7.0586E-23 1.1294E-21 2.4327E-03 -2.7176E-02 -6.0102E-03 3.9305E-03 -1.1780E-02 -3.9305E-03
11 -9.0350E-21 -2.2588E-21 7.0586E-23 -2.4327E-03 -1.9199E-20 2.7176E-02 6.0102E-03 -1.1780E-02 3.9305E-03 3.9305E-03
12 1.5485E-21 -2.6404E-21 0.0000E+00 -1.1294E-21 -7.6873E-22 0.0000E+00 0.0000E+00 5.0471E-03 5.0471E-03 0.0000E+00
13 0.0000E+00 0.0000E+00 -7.0586E-23 -9.0350E-21 1.0164E-20 -2.7176E-02 -6.0102E-03 3.9305E-03 -3.9305E-03 -1.1780E-02
14 3.6330E-21 -2.1396E-22 2.8234E-22 -1.1294E-21 1.2005E-21 0.0000E+00 0.0000E+00 -1.1112E-03 1.1112E-03 -2.2224E-03
15 4.3484E-04 -1.1858E-20 2.8234E-22 2.2588E-21 5.6138E-04 -3.6466E-03 -8.2619E-04 3.7102E-03 -9.4191E-03 -3.7102E-03
16 2.2588E-21 0.0000E+00 -2.8234E-22 -5.6138E-04 -2.1176E-21 3.6466E-03 8.2619E-04 -9.4191E-03 3.7102E-03 3.7102E-03
17 1.2540E-21 -1.2606E-21 0.0000E+00 2.8234E-22 2.9392E-22 0.0000E+00 0.0000E+00 1.9246E-03 1.9246E-03 0.0000E+00
18 2.2588E-21 5.6469E-22 2.8234E-22 1.1294E-21 -8.4703E-22 -3.6466E-03 -8.2619E-04 3.7102E-03 -3.7102E-03 -9.4191E-03
19 -1.6941E-21 -5.6469E-22 -3.5293E-23 -6.3086E-22 2.8234E-22 4.7063E-03 1.0439E-03 -5.3894E-04 5.3894E-04 9.5747E-04
20 1.3235E-22 -6.2866E-22 -8.2152E-24 -4.8884E-05 -6.6726E-23 2.8820E-03 6.3924E-04 -5.8633E-04 2.2768E-03 -1.6167E-03
21 4.3716E-04 0.0000E+00 1.7647E-23 -2.0183E-22 4.8884E-05 -2.8820E-03 -6.3924E-04 2.2768E-03 -5.8633E-04 1.6167E-03
22 5.6469E-22 3.9929E-04 0.0000E+00 -2.3713E-22 -2.8234E-22 0.0000E+00 0.0000E+00 -2.4624E-03 -2.4624E-03 0.0000E+00
23 1.7647E-23 0.0000E+00 4.6236E-04 -9.1284E-24 1.3235E-23 -4.0428E-04 -2.4167E-04 7.9068E-04 -7.9068E-04 -7.9068E-04
24 -1.7547E-21 4.5219E-23 -9.1284E-24 4.6240E-04 3.5696E-21 -3.7207E-03 -8.2526E-04 7.5695E-04 1.0819E-03 -1.9340E-03
25 4.8884E-05 0.0000E+00 1.3235E-23 3.7107E-21 4.6240E-04 -3.7207E-03 -8.2526E-04 -1.0819E-03 -7.5695E-04 -1.9340E-03
26 -2.8820E-03 0.0000E+00 -4.0428E-04 -3.7207E-03 -3.7207E-03 2.3777E-01 6.4108E-02 7.2280E-20 7.2280E-20 0.0000E+00
27 -6.3924E-04 0.0000E+00 -2.4167E-04 -8.2526E-04 -8.2526E-04 6.4108E-02 1.8748E-02 1.8070E-20 1.8070E-20 0.0000E+00
28 2.2768E-03 -2.4624E-03 7.9068E-04 7.5695E-04 -1.0819E-03 7.2280E-20 1.8070E-20 9.8301E-02 0.0000E+00 7.2280E-20
29 -5.8633E-04 -2.4624E-03 -7.9068E-04 1.0819E-03 -7.5695E-04 7.2280E-20 1.8070E-20 0.0000E+00 9.8301E-02 0.0000E+00
30 1.6167E-03 0.0000E+00 -7.9068E-04 -1.9340E-03 -1.9340E-03 0.0000E+00 0.0000E+00 7.2280E-20 0.0000E+00 9.8301E-02
31 2.2397E-03 -3.4303E-03 3.3191E-03 2.1131E-03 -2.7101E-03 -1.4456E-19 0.0000E+00 1.4198E-01 0.0000E+00 -7.2280E-20
32 -1.6368E-03 -3.4303E-03 -3.3191E-03 2.7101E-03 -2.1131E-03 -1.4456E-19 0.0000E+00 0.0000E+00 1.4198E-01 0.0000E+00
33 3.1840E-03 4.5175E-21 -3.3191E-03 -1.4911E-03 -1.4911E-03 0.0000E+00 0.0000E+00 -7.2280E-20 0.0000E+00 1.4198E-01
34 3.4231E-05 -1.0367E-21 0.0000E+00 -3.6799E-04 -3.6799E-04 5.4210E-19 4.5175E-20 -3.6140E-20 -5.4210E-20 0.0000E+00
35 5.6838E-04 3.0849E-04 9.3174E-04 -6.1467E-04 7.3377E-04 -1.4456E-19 -1.8070E-20 -1.8070E-20 -2.3173E-02 -1.8070E-20
36 8.5915E-05 3.0849E-04 -9.3174E-04 -7.3377E-04 6.1467E-04 1.4456E-19 1.8070E-20 -2.3173E-02 -1.8070E-20 1.8070E-20
37 -4.0154E-04 2.9146E-04 0.0000E+00 2.8042E-04 -2.8042E-04 0.0000E+00 0.0000E+00 1.8070E-20 -7.2280E-20 0.0000E+00
38 -5.7368E-04 0.0000E+00 9.3174E-04 -2.3686E-04 -2.3686E-04 1.4456E-19 1.8070E-20 0.0000E+00 -3.6140E-20 -2.3173E-02
39 4.7180E-05 -3.5072E-22 0.0000E+00 -1.1702E-04 -1.1702E-04 -1.4456E-19 3.6140E-20 -9.0350E-21 -1.8070E-20 -1.8070E-20
40 1.8837E-04 3.5454E-04 1.4313E-04 -2.1305E-04 2.4318E-04 0.0000E+00 -1.1294E-21 -3.6140E-20 -1.7424E-02 -3.6140E-20
41 -2.8343E-04 3.5454E-04 -1.4313E-04 -2.4318E-04 2.1305E-04 0.0000E+00 1.1294E-21 -1.7424E-02 -3.6140E-20 3.6140E-20
42 -1.1722E-04 1.2582E-04 0.0000E+00 4.8597E-05 -4.8597E-05 0.0000E+00 0.0000E+00 2.2588E-20 9.0350E-21 0.0000E+00
43 -2.7714E-04 0.0000E+00 1.4313E-04 2.2117E-04 2.2117E-04 0.0000E+00 1.1294E-21 3.6140E-20 -5.4210E-20 -1.7424E-02
44 -8.6690E-05 0.0000E+00 1.6351E-04 -4.7950E-05 -4.7950E-05 9.0350E-21 -2.8234E-20 0.0000E+00 0.0000E+00 -2.6668E-03
45 4.3152E-05 2.5784E-05 1.0013E-04 1.8954E-05 -6.4738E-05 -1.8070E-20 -1.1294E-21 1.6330E-03 9.0350E-21 -4.5175E-21
46 -1.0581E-04 2.5784E-05 -1.0013E-04 6.4738E-05 -1.8954E-05 -1.2296E-20 2.5046E-21 2.7105E-20 1.6330E-03 -1.8070E-20
47 2.5784E-05 -9.1126E-05 0.0000E+00 6.9520E-05 -6.9520E-05 0.0000E+00 0.0000E+00 1.1294E-20 1.3553E-20 -1.1294E-21
48 -1.0013E-04 0.0000E+00 1.0144E-04 -1.2927E-04 -1.2927E-04 8.7785E-03 2.3510E-03 9.0350E-21 -9.0350E-21 9.0350E-21
49 6.4738E-05 6.9520E-05 -1.2927E-04 -1.1559E-04 7.1190E-05 -6.7763E-21 1.6941E-21 -2.1083E-03 -9.0350E-21 4.5175E-21
50 -1.8954E-05 -6.9520E-05 -1.2927E-04 7.1190E-05 -1.1559E-04 1.1451E-20 -2.2557E-21 9.0350E-21 2.1083E-03 -4.5175E-21
31 32 33 34 35 36 37 38 39 40
1 -7.8428E-02 7.8428E-02 7.8428E-02 0.0000E+00 -2.7176E-02 2.7176E-02 0.0000E+00 -2.7176E-02 0.0000E+00 -3.6466E-03
2 -1.7873E-02 1.7873E-02 1.7873E-02 0.0000E+00 -6.0102E-03 6.0102E-03 0.0000E+00 -6.0102E-03 0.0000E+00 -8.2619E-04
3 -4.7478E-02 4.0959E-02 4.0959E-02 2.9140E-03 -3.9305E-03 1.1780E-02 -5.0471E-03 -3.9305E-03 1.1112E-03 -3.7102E-03
4 4.0959E-02 -4.7478E-02 -4.0959E-02 -2.9140E-03 1.1780E-02 -3.9305E-03 -5.0471E-03 3.9305E-03 -1.1112E-03 9.4191E-03
5 4.0959E-02 -4.0959E-02 -4.7478E-02 5.8279E-03 3.9305E-03 -3.9305E-03 0.0000E+00 1.1780E-02 2.2224E-03 3.7102E-03
6 -7.6171E-02 4.0142E-02 4.0142E-02 5.9516E-03 3.6506E-03 2.3360E-02 -1.0309E-02 3.6506E-03 1.8146E-03 -4.2697E-03
7 4.0142E-02 -7.6171E-02 -4.0142E-02 -5.9516E-03 2.3360E-02 3.6506E-03 -1.0309E-02 -3.6506E-03 -1.8146E-03 1.2502E-02
8 4.0142E-02 -4.0142E-02 -7.6171E-02 1.1903E-02 -3.6506E-03 3.6506E-03 0.0000E+00 2.3360E-02 3.6292E-03 4.2697E-03
9 -5.9516E-03 5.9516E-03 -1.1903E-02 9.3220E-04 -1.5988E-03 1.5988E-03 0.0000E+00 3.1977E-03 4.0242E-04 -5.8173E-04
10 -3.6506E-03 -2.3360E-02 3.6506E-03 -1.5988E-03 8.0471E-03 3.1582E-03 -2.7693E-03 -3.1582E-03 -3.8980E-04 3.4838E-03
11 -2.3360E-02 -3.6506E-03 -3.6506E-03 1.5988E-03 3.1582E-03 8.0471E-03 -2.7693E-03 3.1582E-03 3.8980E-04 -1.2536E-04
12 1.0309E-02 1.0309E-02 0.0000E+00 0.0000E+00 -2.7693E-03 -2.7693E-03 9.3220E-04 0.0000E+00 0.0000E+00 -1.0076E-03
13 -3.6506E-03 3.6506E-03 -2.3360E-02 3.1977E-03 -3.1582E-03 3.1582E-03 0.0000E+00 8.0471E-03 7.7960E-04 1.2536E-04
14 -1.8146E-03 1.8146E-03 -3.6292E-03 4.0242E-04 -3.8980E-04 3.8980E-04 0.0000E+00 7.7960E-04 1.7372E-04 -2.0938E-04
15 4.2697E-03 -1.2502E-02 -4.2697E-03 -5.8173E-04 3.4838E-03 -1.2536E-04 -1.0076E-03 1.2536E-04 -2.0938E-04 2.3051E-03
16 -1.2502E-02 4.2697E-03 4.2697E-03 5.8173E-04 -1.2536E-04 3.4838E-03 -1.0076E-03 -1.2536E-04 2.0938E-04 -4.9824E-04
17 3.1430E-03 3.1430E-03 0.0000E+00 0.0000E+00 -6.7515E-04 -6.7515E-04 4.0242E-04 0.0000E+00 0.0000E+00 -3.6266E-04
18 4.2697E-03 -4.2697E-03 -1.2502E-02 1.1635E-03 1.2536E-04 -1.2536E-04 0.0000E+00 3.4838E-03 4.1877E-04 4.9824E-04
19 7.7097E-04 -7.7097E-04 2.6728E-03 -5.3992E-04 5.3855E-04 -5.3855E-04 1.3235E-22 -9.2816E-04 -1.2725E-04 -5.1356E-06
20 -1.6368E-03 2.2397E-03 -3.1840E-03 -3.4231E-05 8.5915E-05 5.6838E-04 -4.0154E-04 5.7368E-04 -4.7180E-05 -2.8343E-04
21 2.2397E-03 -1.6368E-03 3.1840E-03 3.4231E-05 5.6838E-04 8.5915E-05 -4.0154E-04 -5.7368E-04 4.7180E-05 1.8837E-04
22 -3.4303E-03 -3.4303E-03 4.5175E-21 -1.0367E-21 3.0849E-04 3.0849E-04 2.9146E-04 0.0000E+00 -3.5072E-22 3.5454E-04
23 3.3191E-03 -3.3191E-03 -3.3191E-03 0.0000E+00 9.3174E-04 -9.3174E-04 0.0000E+00 9.3174E-04 0.0000E+00 1.4313E-04
24 2.1131E-03 2.7101E-03 -1.4911E-03 -3.6799E-04 -6.1467E-04 -7.3377E-04 2.8042E-04 -2.3686E-04 -1.1702E-04 -2.1305E-04
25 -2.7101E-03 -2.1131E-03 -1.4911E-03 -3.6799E-04 7.3377E-04 6.1467E-04 -2.8042E-04 -2.3686E-04 -1.1702E-04 2.4318E-04
26 -1.4456E-19 -1.4456E-19 0.0000E+00 5.4210E-19 -1.4456E-19 1.4456E-19 0.0000E+00 1.4456E-19 -1.4456E-19 0.0000E+00
27 0.0000E+00 0.0000E+00 0.0000E+00 4.5175E-20 -1.8070E-20 1.8070E-20 0.0000E+00 1.8070E-20 3.6140E-20 -1.1294E-21
28 1.4198E-01 0.0000E+00 -7.2280E-20 -3.6140E-20 -1.8070E-20 -2.3173E-02 1.8070E-20 0.0000E+00 -9.0350E-21 -3.6140E-20
29 0.0000E+00 1.4198E-01 0.0000E+00 -5.4210E-20 -2.3173E-02 -1.8070E-20 -7.2280E-20 -3.6140E-20 -1.8070E-20 -1.7424E-02
30 -7.2280E-20 0.0000E+00 1.4198E-01 0.0000E+00 -1.8070E-20 1.8070E-20 0.0000E+00 -2.3173E-02 -1.8070E-20 -3.6140E-20
31 2.8804E-01 0.0000E+00 -1.4456E-19 0.0000E+00 0.0000E+00 -6.4612E-02 -1.6263E-19 0.0000E+00 -7.2280E-20 -1.8070E-20
32 0.0000E+00 2.8804E-01 -1.4456E-19 0.0000E+00 -6.4612E-02 0.0000E+00 3.2526E-19 7.2280E-20 -6.3245E-20 -2.7085E-02
33 -1.4456E-19 -1.4456E-19 2.8804E-01 3.6140E-20 7.2280E-20 0.0000E+00 0.0000E+00 -6.4612E-02 0.0000E+00 -2.7105E-20
34 0.0000E+00 0.0000E+00 3.6140E-20 3.0276E-03 -1.1294E-20 4.5175E-21 6.7763E-21 -7.6798E-20 1.0052E-03 0.0000E+00
35 0.0000E+00 -6.4612E-02 7.2280E-20 -1.1294E-20 2.0598E-02 -3.6140E-20 -1.3553E-20 -5.4210E-20 -4.5175E-21 6.0196E-03
36 -6.4612E-02 0.0000E+00 0.0000E+00 4.5175E-21 -3.6140E-20 2.0598E-02 -6.7763E-21 1.8070E-20 4.5175E-21 -1.1294E-21
37 -1.6263E-19 3.2526E-19 0.0000E+00 6.7763E-21 -1.3553E-20 -6.7763E-21 3.0276E-03 0.0000E+00 0.0000E+00 -1.8070E-20
38 0.0000E+00 7.2280E-20 -6.4612E-02 -7.6798E-20 -5.4210E-20 1.8070E-20 0.0000E+00 2.0598E-02 -2.2588E-21 -2.2588E-21
39 -7.2280E-20 -6.3245E-20 0.0000E+00 1.0052E-03 -4.5175E-21 4.5175E-21 0.0000E+00 -2.2588E-21 3.8196E-04 -3.3881E-21
40 -1.8070E-20 -2.7085E-02 -2.7105E-20 0.0000E+00 6.0196E-03 -1.1294E-21 -1.8070E-20 -2.2588E-21 -3.3881E-21 3.5865E-03
41 -2.7085E-02 -1.8070E-20 9.0350E-21 0.0000E+00 -1.1294E-21 6.0196E-03 -6.7763E-21 0.0000E+00 -4.5175E-21 0.0000E+00
42 9.0350E-21 5.4210E-20 0.0000E+00 0.0000E+00 0.0000E+00 2.2588E-21 1.0052E-03 0.0000E+00 0.0000E+00 0.0000E+00
43 2.7105E-20 -9.0350E-21 -2.7085E-02 4.5175E-21 -1.1294E-21 1.1294E-21 0.0000E+00 6.0196E-03 -2.2588E-21 2.2588E-21
44 0.0000E+00 3.3881E-21 -9.4479E-03 -6.2204E-22 -6.7763E-21 1.8070E-20 -1.3235E-22 3.0772E-03 -5.0557E-21 0.0000E+00
45 5.7857E-03 -3.3881E-21 3.6140E-20 -5.9998E-21 9.0350E-21 -1.8844E-03 1.5485E-21 0.0000E+00 -3.6330E-21 -2.2588E-21
46 0.0000E+00 5.7857E-03 3.6140E-20 -9.0350E-21 -1.8844E-03 7.9056E-21 -2.2588E-21 -4.5175E-21 -5.6469E-21 -4.3484E-04
47 7.2280E-20 -4.0658E-20 4.5175E-21 -1.2220E-21 -2.2588E-21 -4.5175E-21 2.6404E-21 0.0000E+00 -2.1396E-22 0.0000E+00
48 1.8070E-20 -1.8070E-20 9.0350E-21 -2.2588E-21 -7.0586E-23 7.0586E-23 0.0000E+00 7.0586E-23 -2.8234E-22 2.8234E-22
49 -7.4693E-03 2.4846E-20 -9.0350E-21 1.8066E-21 -1.9199E-20 2.4327E-03 7.6873E-22 1.0164E-20 1.2005E-21 -2.1176E-21
50 -4.5175E-20 7.4693E-03 -9.0350E-21 6.7763E-21 -2.4327E-03 1.1294E-21 1.1294E-21 -9.0350E-21 -1.1294E-21 -5.6138E-04
41 42 43 44 45 46 47 48 49 50
1 3.6466E-03 0.0000E+00 -3.6466E-03 -4.7063E-03 -2.8820E-03 2.8820E-03 0.0000E+00 4.0428E-04 3.7207E-03 3.7207E-03
2 8.2619E-04 0.0000E+00 -8.2619E-04 -1.0439E-03 -6.3924E-04 6.3924E-04 0.0000E+00 2.4167E-04 8.2526E-04 8.2526E-04
3 9.4191E-03 -1.9246E-03 -3.7102E-03 -5.3894E-04 -5.8633E-04 2.2768E-03 -2.4624E-03 7.9068E-04 7.5695E-04 -1.0819E-03
4 -3.7102E-03 -1.9246E-03 3.7102E-03 5.3894E-04 2.2768E-03 -5.8633E-04 -2.4624E-03 -7.9068E-04 1.0819E-03 -7.5695E-04
5 -3.7102E-03 0.0000E+00 9.4191E-03 9.5747E-04 -1.6167E-03 1.6167E-03 0.0000E+00 -7.9068E-04 -1.9340E-03 -1.9340E-03
6 1.2502E-02 -3.1430E-03 -4.2697E-03 7.7097E-04 -1.6368E-03 2.2397E-03 -3.4303E-03 3.3191E-03 2.1131E-03 -2.7101E-03
7 -4.2697E-03 -3.1430E-03 4.2697E-03 -7.7097E-04 2.2397E-03 -1.6368E-03 -3.4303E-03 -3.3191E-03 2.7101E-03 -2.1131E-03
8 -4.2697E-03 0.0000E+00 1.2502E-02 2.6728E-03 -3.1840E-03 3.1840E-03 -4.5175E-21 -3.3191E-03 -1.4911E-03 -1.4911E-03
9 5.8173E-04 0.0000E+00 1.1635E-03 5.3992E-04 3.4231E-05 -3.4231E-05 -1.0367E-21 0.0000E+00 3.6799E-04 3.6799E-04
10 -1.2536E-04 -6.7515E-04 1.2536E-04 -5.3855E-04 -8.5915E-05 -5.6838E-04 -3.0849E-04 -9.3174E-04 6.1467E-04 -7.3377E-04
11 3.4838E-03 -6.7515E-04 -1.2536E-04 5.3855E-04 -5.6838E-04 -8.5915E-05 -3.0849E-04 9.3174E-04 7.3377E-04 -6.1467E-04
12 -1.0076E-03 4.0242E-04 0.0000E+00 1.3235E-22 4.0154E-04 4.0154E-04 -2.9146E-04 0.0000E+00 -2.8042E-04 2.8042E-04
13 -1.2536E-04 0.0000E+00 3.4838E-03 9.2816E-04 -5.7368E-04 5.7368E-04 0.0000E+00 -9.3174E-04 2.3686E-04 2.3686E-04
14 2.0938E-04 0.0000E+00 4.1877E-04 1.2725E-04 4.7180E-05 -4.7180E-05 -3.5072E-22 0.0000E+00 1.1702E-04 1.1702E-04
15 -4.9824E-04 -3.6266E-04 4.9824E-04 5.1356E-06 2.8343E-04 -1.8837E-04 -3.5454E-04 -1.4313E-04 2.1305E-04 -2.4318E-04
16 2.3051E-03 -3.6266E-04 -4.9824E-04 -5.1356E-06 -1.8837E-04 2.8343E-04 -3.5454E-04 1.4313E-04 2.4318E-04 -2.1305E-04
17 -3.6266E-04 1.7372E-04 0.0000E+00 4.3013E-23 1.1722E-04 1.1722E-04 -1.2582E-04 0.0000E+00 -4.8597E-05 4.8597E-05
18 -4.9824E-04 0.0000E+00 2.3051E-03 3.0760E-04 -2.7714E-04 2.7714E-04 0.0000E+00 -1.4313E-04 -2.2117E-04 -2.2117E-04
19 5.1356E-06 4.3013E-23 -3.0760E-04 -1.3028E-04 8.6690E-05 -8.6690E-05 0.0000E+00 1.6351E-04 -4.7950E-05 -4.7950E-05
20 1.8837E-04 -1.1722E-04 2.7714E-04 8.6690E-05 -1.0581E-04 4.3152E-05 2.5784E-05 1.0013E-04 1.8954E-05 -6.4738E-05
21 -2.8343E-04 -1.1722E-04 -2.7714E-04 -8.6690E-05 4.3152E-05 -1.0581E-04 2.5784E-05 -1.0013E-04 6.4738E-05 -1.8954E-05
22 3.5454E-04 1.2582E-04 0.0000E+00 2.8234E-22 2.5784E-05 2.5784E-05 -9.1126E-05 0.0000E+00 6.9520E-05 -6.9520E-05
23 -1.4313E-04 0.0000E+00 1.4313E-04 1.6351E-04 1.0013E-04 -1.0013E-04 0.0000E+00 1.0144E-04 -1.2927E-04 -1.2927E-04
24 -2.4318E-04 4.8597E-05 2.2117E-04 -4.7950E-05 1.8954E-05 6.4738E-05 6.9520E-05 -1.2927E-04 -1.1559E-04 7.1190E-05
25 2.1305E-04 -4.8597E-05 2.2117E-04 -4.7950E-05 -6.4738E-05 -1.8954E-05 -6.9520E-05 -1.2927E-04 7.1190E-05 -1.1559E-04
26 0.0000E+00 0.0000E+00 0.0000E+00 9.0350E-21 -1.8070E-20 -1.2296E-20 0.0000E+00 8.7785E-03 -6.7763E-21 1.1451E-20
27 1.1294E-21 0.0000E+00 1.1294E-21 -2.8234E-20 -1.1294E-21 2.5046E-21 0.0000E+00 2.3510E-03 1.6941E-21 -2.2557E-21
28 -1.7424E-02 2.2588E-20 3.6140E-20 0.0000E+00 1.6330E-03 2.7105E-20 1.1294E-20 9.0350E-21 -2.1083E-03 9.0350E-21
29 -3.6140E-20 9.0350E-21 -5.4210E-20 0.0000E+00 9.0350E-21 1.6330E-03 1.3553E-20 -9.0350E-21 -9.0350E-21 2.1083E-03
30 3.6140E-20 0.0000E+00 -1.7424E-02 -2.6668E-03 -4.5175E-21 -1.8070E-20 -1.1294E-21 9.0350E-21 4.5175E-21 -4.5175E-21
31 -2.7085E-02 9.0350E-21 2.7105E-20 0.0000E+00 5.7857E-03 0.0000E+00 7.2280E-20 1.8070E-20 -7.4693E-03 -4.5175E-20
32 -1.8070E-20 5.4210E-20 -9.0350E-21 3.3881E-21 -3.3881E-21 5.7857E-03 -4.0658E-20 -1.8070E-20 2.4846E-20 7.4693E-03
33 9.0350E-21 0.0000E+00 -2.7085E-02 -9.4479E-03 3.6140E-20 3.6140E-20 4.5175E-21 9.0350E-21 -9.0350E-21 -9.0350E-21
34 0.0000E+00 0.0000E+00 4.5175E-21 -6.2204E-22 -5.9998E-21 -9.0350E-21 -1.2220E-21 -2.2588E-21 1.8066E-21 6.7763E-21
35 -1.1294E-21 0.0000E+00 -1.1294E-21 -6.7763E-21 9.0350E-21 -1.8844E-03 -2.2588E-21 -7.0586E-23 -1.9199E-20 -2.4327E-03
36 6.0196E-03 2.2588E-21 1.1294E-21 1.8070E-20 -1.8844E-03 7.9056E-21 -4.5175E-21 7.0586E-23 2.4327E-03 1.1294E-21
37 -6.7763E-21 1.0052E-03 0.0000E+00 -1.3235E-22 1.5485E-21 -2.2588E-21 2.6404E-21 0.0000E+00 7.6873E-22 1.1294E-21
38 0.0000E+00 0.0000E+00 6.0196E-03 3.0772E-03 0.0000E+00 -4.5175E-21 0.0000E+00 7.0586E-23 1.0164E-20 -9.0350E-21
39 -4.5175E-21 0.0000E+00 -2.2588E-21 -5.0557E-21 -3.6330E-21 -5.6469E-21 -2.1396E-22 -2.8234E-22 1.2005E-21 -1.1294E-21
40 0.0000E+00 0.0000E+00 2.2588E-21 0.0000E+00 -2.2588E-21 -4.3484E-04 0.0000E+00 2.8234E-22 -2.1176E-21 -5.6138E-04
41 3.5865E-03 -4.5175E-21 2.2588E-21 0.0000E+00 -4.3484E-04 -1.1294E-21 -1.1858E-20 -2.8234E-22 5.6138E-04 2.2588E-21
42 -4.5175E-21 3.8196E-04 0.0000E+00 -4.3013E-23 1.2540E-21 -5.6469E-22 1.2606E-21 0.0000E+00 -2.9392E-22 -2.8234E-22
43 2.2588E-21 0.0000E+00 3.5865E-03 7.1010E-04 -2.2588E-21 6.7763E-21 5.6469E-22 -2.8234E-22 -8.4703E-22 1.1294E-21
44 0.0000E+00 -4.3013E-23 7.1010E-04 5.0026E-04 -1.6941E-21 1.2033E-21 5.6469E-22 -3.5293E-23 -2.8234E-22 6.3086E-22
45 -4.3484E-04 1.2540E-21 -2.2588E-21 -5.6469E-22 4.3716E-04 6.1763E-23 0.0000E+00 1.7647E-23 -4.8884E-05 2.0183E-22
46 -1.1294E-21 -5.6469E-22 6.7763E-21 2.1507E-22 1.3235E-22 4.3716E-04 6.2866E-22 -8.2152E-24 6.6726E-23 4.8884E-05
47 -1.1858E-20 1.2606E-21 5.6469E-22 5.6469E-22 -5.6469E-22 -5.0072E-22 3.9929E-04 0.0000E+00 -2.8234E-22 -2.3713E-22
48 -2.8234E-22 0.0000E+00 -2.8234E-22 -3.5293E-23 1.7647E-23 -8.2152E-24 0.0000E+00 4.6236E-04 -1.3235E-23 9.1284E-24
49 5.6138E-04 -2.9392E-22 -8.4703E-22 4.6587E-21 -4.8884E-05 -1.1332E-21 0.0000E+00 -1.3235E-23 4.6240E-04 3.7107E-21
50 2.2588E-21 -2.8234E-22 1.1294E-21 -5.0160E-21 1.7547E-21 4.8884E-05 4.5219E-23 9.1284E-24 3.5696E-21 4.6240E-04
HAMILTONIAN MATRIX DIRECT LATTICE - G=0
1 2 3 4 5 6 7 8 9 10
1 -1.5799E-01
2 -8.8348E-01 9.4222E-01
3 -4.6838E-17 6.9389E-18 -1.2866E-01
4 1.3357E-16 4.5103E-17 -3.4694E-18 -1.2866E-01
5 5.5945E-17 2.1684E-17 1.3281E-18 -1.9082E-17 -1.2866E-01
6 1.2663E-16 1.9082E-17 -3.0339E-01 3.1225E-17 3.7947E-17 -3.7361E-01
7 3.6429E-17 1.3010E-17 3.0358E-17 -3.0339E-01 -3.9899E-17 2.1684E-17 -3.7361E-01
8 2.4720E-17 8.6736E-18 4.0115E-17 -3.8164E-17 -3.0339E-01 2.6021E-17 -4.0658E-17 -3.7361E-01
9 1.8648E-16 5.0199E-17 1.3010E-18 1.2143E-17 -2.6021E-17 -5.9740E-17 3.2960E-17 -1.0397E-16 -5.7199E-02
10 1.6480E-17 1.2563E-17 7.2642E-18 -3.9459E-02 -8.2399E-18 -7.8279E-17 -8.0014E-02 4.7705E-17 1.8648E-17 -1.1545E-01
11 -3.7297E-17 3.0358E-18 -3.9459E-02 1.6914E-17 2.7756E-17 -8.0014E-02 -7.1124E-17 -1.4745E-17 -1.8621E-17 3.9031E-18
12 -1.9407E-17 -1.0192E-17 3.3610E-18 6.2884E-18 -4.4588E-18 8.8905E-17 3.7513E-17 -1.0842E-17 -1.4311E-17 4.0739E-17
13 1.3878E-17 8.2399E-18 2.1684E-17 -6.9389E-18 -3.9459E-02 -3.3827E-17 6.1583E-17 -8.0014E-02 -4.5970E-17 -6.5052E-17
14 -1.2924E-16 -3.7817E-16 -2.1684E-19 8.6736E-19 -1.3010E-18 -4.5536E-18 -3.0358E-17 3.4234E-17 -4.9135E-02 6.9863E-18
15 4.6851E-17 1.2333E-17 1.6846E-17 -2.4551E-02 2.2551E-17 6.5974E-17 -2.8156E-02 -1.9082E-17 6.9999E-18 -6.9347E-02
16 -1.2143E-17 -5.2042E-18 -2.4551E-02 1.5613E-17 3.2960E-17 -2.8156E-02 7.1991E-17 9.5410E-17 2.1684E-19 1.5613E-17
17 -4.3802E-17 9.1507E-17 1.2685E-17 -8.6736E-18 -2.2226E-18 7.1557E-18 -5.5077E-17 -3.5779E-18 -6.5052E-18 1.0727E-17
18 4.3368E-17 1.0408E-17 2.6021E-17 1.7347E-17 -2.4551E-02 9.5410E-17 -1.5613E-17 -2.8156E-02 -1.2794E-17 -5.9631E-18
19 -2.4286E-17 -1.0408E-17 -1.8757E-17 3.9031E-18 1.9418E-02 -2.5153E-17 6.2884E-18 3.1853E-02 8.6736E-17 -1.6046E-17
20 -1.1926E-17 -6.5052E-19 -1.1891E-02 -8.6736E-18 3.8652E-17 -1.9506E-02 -5.6379E-18 1.3824E-17 1.9949E-17 7.3943E-17
21 1.4745E-17 6.9389E-18 -8.6736E-18 -1.1891E-02 -2.0600E-18 -6.2884E-18 -1.9506E-02 -3.1876E-17 1.2100E-16 -4.6211E-02
22 1.5179E-18 -2.8189E-18 3.1225E-17 4.3368E-19 -1.5699E-16 2.6183E-17 3.8381E-17 -1.6480E-17 8.4568E-18 4.5536E-18
23 -6.4381E-02 -1.8022E-02 -5.2042E-18 2.4286E-17 1.6480E-17 7.1557E-18 2.0817E-17 2.6888E-17 -8.1315E-18 1.1449E-16
24 1.7347E-17 8.6736E-19 1.5351E-02 -2.8189E-17 1.4772E-18 2.5182E-02 -2.2118E-17 1.8974E-18 -9.3241E-18 -4.7434E-18
25 2.1034E-17 4.1200E-18 2.4069E-17 -1.5351E-02 4.3368E-19 4.6404E-17 -2.5182E-02 1.7889E-17 -1.5179E-17 -5.9658E-02
26 -1.0893E-01 -5.2179E-02 -7.8187E-02 7.8187E-02 7.8187E-02 -1.5423E-01 1.5423E-01 1.5423E-01 -8.6736E-19 1.4267E-01
27 -5.2179E-02 -1.8053E-02 -4.4604E-02 4.4604E-02 4.4604E-02 -5.5226E-02 5.5226E-02 5.5226E-02 5.1974E-18 3.0519E-02
28 7.8187E-02 4.4604E-02 2.9383E-02 -6.6652E-02 -6.6652E-02 8.2851E-03 -7.9897E-02 -7.9897E-02 3.8243E-02 -4.9885E-03
29 -7.8187E-02 -4.4604E-02 -6.6652E-02 2.9383E-02 6.6652E-02 -7.9897E-02 8.2851E-03 7.9897E-02 -3.8243E-02 7.2305E-02
30 -7.8187E-02 -4.4604E-02 -6.6652E-02 6.6652E-02 2.9383E-02 -7.9897E-02 7.9897E-02 8.2851E-03 7.6486E-02 4.9885E-03
31 1.5423E-01 5.5226E-02 8.2851E-03 -7.9897E-02 -7.9897E-02 -1.6617E-02 -9.5681E-02 -9.5681E-02 3.9522E-02 8.0059E-03
32 -1.5423E-01 -5.5226E-02 -7.9897E-02 8.2851E-03 7.9897E-02 -9.5681E-02 -1.6617E-02 9.5681E-02 -3.9522E-02 5.9139E-02
33 -1.5423E-01 -5.5226E-02 -7.9897E-02 7.9897E-02 8.2851E-03 -9.5681E-02 9.5681E-02 -1.6617E-02 7.9045E-02 -8.0059E-03
34 -8.6736E-19 5.1974E-18 -3.8243E-02 3.8243E-02 -7.6486E-02 -3.9522E-02 3.9522E-02 -7.9045E-02 8.8513E-03 -1.2789E-02
35 1.4267E-01 3.0519E-02 4.9885E-03 -7.2305E-02 -4.9885E-03 -8.0059E-03 -5.9139E-02 8.0059E-03 -1.2789E-02 -6.1638E-03
36 -1.4267E-01 -3.0519E-02 -7.2305E-02 4.9885E-03 4.9885E-03 -5.9139E-02 -8.0059E-03 -8.0059E-03 1.2789E-02 -2.0639E-02
37 -3.1645E-17 8.0163E-18 6.6239E-02 6.6239E-02 1.4772E-18 6.8455E-02 6.8455E-02 -2.2226E-18 2.0329E-17 -2.2152E-02
38 1.4267E-01 3.0519E-02 4.9885E-03 -4.9885E-03 -7.2305E-02 -8.0059E-03 8.0059E-03 -5.9139E-02 2.5579E-02 2.0639E-02
39 -4.0658E-20 5.5682E-18 -1.4209E-02 1.4209E-02 -2.8418E-02 -1.7283E-02 1.7283E-02 -3.4565E-02 3.4094E-02 -1.7517E-02
40 4.6812E-02 3.4666E-02 2.5930E-02 -5.0491E-02 -2.5930E-02 7.1347E-03 -3.5841E-02 -7.1347E-03 -1.6508E-02 2.5280E-03
41 -4.6812E-02 -3.4666E-02 -5.0491E-02 2.5930E-02 2.5930E-02 -3.5841E-02 7.1347E-03 7.1347E-03 1.6508E-02 -2.7540E-04
42 4.4385E-18 4.2090E-18 2.4611E-02 2.4611E-02 -6.1825E-18 2.9934E-02 2.9934E-02 -6.3697E-19 -5.0415E-18 -3.0341E-02
43 4.6812E-02 3.4666E-02 2.5930E-02 -2.5930E-02 -5.0491E-02 7.1347E-03 -7.1347E-03 -3.5841E-02 3.3016E-02 2.7540E-04
44 2.4781E-02 2.5451E-02 -5.5717E-03 5.5717E-03 -1.9961E-02 -1.0726E-03 1.0726E-03 -1.2993E-02 -1.5422E-02 4.7305E-03
45 1.5175E-02 1.5585E-02 1.2224E-02 -2.2870E-02 2.9694E-02 7.9567E-03 -1.3561E-02 1.4875E-02 2.0930E-02 -9.7817E-03
46 -1.5175E-02 -1.5585E-02 -2.2870E-02 1.2224E-02 -2.9694E-02 -1.3561E-02 7.9567E-03 -1.4875E-02 -2.0930E-02 -1.3591E-03
47 9.1196E-18 -1.1282E-17 3.3244E-02 3.3244E-02 3.0525E-18 1.7985E-02 1.7985E-02 -1.7645E-17 5.4319E-17 1.6037E-02
48 4.8203E-02 4.9258E-02 5.8939E-03 -5.8939E-03 -5.8939E-03 1.4193E-02 -1.4193E-02 -1.4193E-02 -1.0761E-17 6.0382E-05
49 -1.9591E-02 -2.0121E-02 -1.5781E-02 -2.4762E-02 1.5953E-02 -1.0272E-02 -1.1861E-02 1.0165E-02 6.4586E-03 -1.3560E-02
50 -1.9591E-02 -2.0121E-02 2.4762E-02 1.5781E-02 1.5953E-02 1.1861E-02 1.0272E-02 1.0165E-02 6.4586E-03 -1.7546E-03
11 12 13 14 15 16 17 18 19 20
11 -1.1545E-01
12 4.5333E-17 -5.7199E-02
13 0.0000E+00 3.2526E-18 -1.1545E-01
14 0.0000E+00 -7.3726E-18 -1.3010E-17 5.1466E-01
15 1.6480E-17 1.0347E-17 -6.6678E-18 1.4068E-17 4.9922E-01
16 -6.9347E-02 -5.4210E-19 1.3878E-17 -1.7347E-18 3.2960E-17 4.9922E-01
17 -1.7347E-18 -4.9135E-02 -2.1684E-19 -2.6368E-16 3.0575E-17 4.3368E-19 5.1466E-01
18 1.4745E-17 -4.3368E-19 -6.9347E-02 -2.6021E-17 -1.4393E-17 3.6443E-17 4.3368E-19 4.9922E-01
19 -5.2909E-17 6.2884E-18 7.5462E-02 3.2960E-17 2.7756E-17 -2.0817E-17 1.0842E-18 3.1737E-02 7.8682E-01
20 -4.6211E-02 -7.3726E-18 -2.3419E-17 -1.1276E-17 4.2650E-17 -1.9435E-02 1.6914E-17 -3.4694E-18 1.2414E-17 7.7706E-01
21 6.0878E-17 1.0842E-17 1.1709E-17 3.5128E-17 -1.9435E-02 4.3585E-17 -3.2526E-18 -3.2526E-18 -8.5652E-18 6.7221E-17
22 -7.4593E-17 1.0712E-16 2.1359E-17 -1.3010E-18 -1.3878E-17 -2.0817E-17 4.5320E-17 3.3610E-18 -6.8522E-17 3.2445E-17
23 3.8164E-17 2.3581E-17 8.3267E-17 -4.7003E-16 4.8572E-17 -3.6429E-17 3.5508E-18 5.5511E-17 -3.2092E-17 -3.1117E-17
24 5.9658E-02 2.2768E-17 -9.8879E-17 5.4210E-18 -4.0861E-18 2.5090E-02 -2.9382E-17 -2.6455E-17 2.4882E-17 -7.5595E-03
25 -2.1684E-18 1.0262E-16 9.4597E-18 -5.5294E-18 -2.5090E-02 4.2013E-18 2.4882E-17 -3.3773E-17 3.7947E-17 -2.4720E-17
26 -1.4267E-01 3.1645E-17 1.4267E-01 -4.0658E-20 4.6812E-02 -4.6812E-02 -4.4385E-18 4.6812E-02 -2.4781E-02 -1.5175E-02
27 -3.0519E-02 -8.0163E-18 3.0519E-02 5.5682E-18 3.4666E-02 -3.4666E-02 -4.2090E-18 3.4666E-02 -2.5451E-02 -1.5585E-02
28 7.2305E-02 -6.6239E-02 -4.9885E-03 1.4209E-02 -2.5930E-02 5.0491E-02 -2.4611E-02 -2.5930E-02 -5.5717E-03 1.2224E-02
29 -4.9885E-03 -6.6239E-02 4.9885E-03 -1.4209E-02 5.0491E-02 -2.5930E-02 -2.4611E-02 2.5930E-02 5.5717E-03 -2.2870E-02
30 -4.9885E-03 1.4772E-18 7.2305E-02 2.8418E-02 2.5930E-02 -2.5930E-02 -6.1825E-18 5.0491E-02 -1.9961E-02 2.9694E-02
31 5.9139E-02 -6.8455E-02 8.0059E-03 1.7283E-02 -7.1347E-03 3.5841E-02 -2.9934E-02 -7.1347E-03 -1.0726E-03 7.9567E-03
32 8.0059E-03 -6.8455E-02 -8.0059E-03 -1.7283E-02 3.5841E-02 -7.1347E-03 -2.9934E-02 7.1347E-03 1.0726E-03 -1.3561E-02
33 8.0059E-03 -2.2226E-18 5.9139E-02 3.4565E-02 7.1347E-03 -7.1347E-03 -6.3697E-19 3.5841E-02 -1.2993E-02 1.4875E-02
34 1.2789E-02 2.3961E-17 2.5579E-02 3.4094E-02 -1.6508E-02 1.6508E-02 5.0415E-18 3.3016E-02 1.5422E-02 -2.0930E-02
35 -2.0639E-02 -2.2152E-02 2.0639E-02 -1.7517E-02 2.5280E-03 -2.7540E-04 -3.0341E-02 2.7540E-04 -4.7305E-03 9.7817E-03
36 -6.1638E-03 -2.2152E-02 -2.0639E-02 1.7517E-02 -2.7540E-04 2.5280E-03 -3.0341E-02 -2.7540E-04 4.7305E-03 1.3591E-03
37 -2.2152E-02 8.8513E-03 2.8027E-17 2.6834E-18 -2.8592E-02 -2.8592E-02 3.4094E-02 -3.1564E-17 -3.1652E-17 -1.1788E-03
38 -2.0639E-02 3.1225E-17 -6.1638E-03 3.5035E-02 2.7540E-04 -2.7540E-04 -2.0681E-17 2.5280E-03 -2.2194E-03 -1.5575E-02
39 1.7517E-02 -2.6834E-18 3.5035E-02 3.6536E-02 -1.2991E-02 1.2991E-02 2.5652E-18 2.5982E-02 7.7935E-04 2.2168E-02
40 -2.7540E-04 -2.8592E-02 2.7540E-04 -1.2991E-02 -1.7867E-02 3.1877E-02 -2.2501E-02 -3.1877E-02 -1.0102E-03 -6.5583E-03
41 2.5280E-03 -2.8592E-02 -2.7540E-04 1.2991E-02 3.1877E-02 -1.7867E-02 -2.2501E-02 3.1877E-02 1.0102E-03 2.0420E-02
42 -3.0341E-02 3.4094E-02 2.0681E-17 2.5911E-18 -2.2501E-02 -2.2501E-02 3.6536E-02 1.8719E-18 2.2035E-17 1.3350E-02
43 -2.7540E-04 3.1564E-17 2.5280E-03 2.5982E-02 -3.1877E-02 3.1877E-02 -2.3438E-18 -1.7867E-02 -3.3346E-02 5.3211E-03
44 -4.7305E-03 -3.1652E-17 2.2194E-03 -7.7935E-04 1.0102E-03 -1.0102E-03 2.2035E-17 3.3346E-02 -1.5256E-02 -4.8416E-02
45 -1.3591E-03 1.1788E-03 1.5575E-02 -2.2168E-02 6.5583E-03 -2.0420E-02 -1.3350E-02 -5.3211E-03 -4.8416E-02 5.2119E-02
46 -9.7817E-03 1.1788E-03 -1.5575E-02 2.2168E-02 -2.0420E-02 6.5583E-03 -1.3350E-02 5.3211E-03 4.8416E-02 -6.2710E-02
47 1.6037E-02 -2.3674E-02 5.6443E-17 9.4224E-18 -7.5132E-03 -7.5132E-03 3.2727E-02 1.4289E-17 -1.8763E-17 -1.3298E-02
48 -6.0382E-05 2.4611E-17 6.0382E-05 2.0904E-17 2.2757E-02 -2.2757E-02 3.7979E-17 2.2757E-02 -3.6943E-02 -2.2623E-02
49 1.7546E-03 1.7807E-02 6.0810E-03 -1.7664E-02 3.8022E-03 2.6362E-02 -9.4871E-03 -5.3995E-03 -6.5132E-03 5.2189E-02
50 1.3560E-02 -1.7807E-02 6.0810E-03 -1.7664E-02 -2.6362E-02 -3.8022E-03 9.4871E-03 -5.3995E-03 -6.5132E-03 2.5287E-02
21 22 23 24 25 26 27 28 29 30
21 7.7706E-01
22 1.6263E-17 7.7120E-01
23 2.0708E-17 -1.7347E-18 7.1786E-01
24 1.9082E-17 5.5403E-17 3.3719E-17 7.8096E-01
25 7.5595E-03 -5.1554E-17 2.6753E-17 -6.1800E-18 7.8096E-01
26 1.5175E-02 9.1196E-18 -4.8203E-02 1.9591E-02 1.9591E-02 -1.5799E-01
27 1.5585E-02 -1.1282E-17 -4.9258E-02 2.0121E-02 2.0121E-02 -8.8348E-01 9.4222E-01
28 -2.2870E-02 3.3244E-02 5.8939E-03 -1.5781E-02 2.4762E-02 -1.3357E-16 -4.5103E-17 -1.2866E-01
29 1.2224E-02 3.3244E-02 -5.8939E-03 -2.4762E-02 1.5781E-02 4.6838E-17 -6.9389E-18 -3.4694E-18 -1.2866E-01
30 -2.9694E-02 -3.0525E-18 -5.8939E-03 1.5953E-02 1.5953E-02 -5.5945E-17 -2.1684E-17 -1.9082E-17 1.3281E-18 -1.2866E-01
31 -1.3561E-02 1.7985E-02 1.4193E-02 -1.0272E-02 1.1861E-02 -3.6429E-17 -1.3010E-17 -3.0339E-01 3.0358E-17 -3.9899E-17
32 7.9567E-03 1.7985E-02 -1.4193E-02 -1.1861E-02 1.0272E-02 -1.2663E-16 -1.9082E-17 3.1225E-17 -3.0339E-01 3.7947E-17
33 -1.4875E-02 1.7645E-17 -1.4193E-02 1.0165E-02 1.0165E-02 -2.4720E-17 -8.6736E-18 -3.8164E-17 4.0115E-17 -3.0339E-01
34 2.0930E-02 5.4319E-17 1.0761E-17 -6.4586E-03 -6.4586E-03 1.8648E-16 5.0199E-17 -1.2143E-17 -1.3010E-18 2.6021E-17
35 1.3591E-03 -1.6037E-02 -6.0382E-05 1.3560E-02 1.7546E-03 -3.7297E-17 3.0358E-18 -1.6914E-17 3.9459E-02 -2.7756E-17
36 9.7817E-03 -1.6037E-02 6.0382E-05 -1.7546E-03 -1.3560E-02 1.6480E-17 1.2563E-17 3.9459E-02 -7.2642E-18 8.2399E-18
37 -1.1788E-03 2.3674E-02 2.4611E-17 -1.7807E-02 1.7807E-02 1.9407E-17 1.0192E-17 6.2884E-18 3.3610E-18 -4.4588E-18
38 1.5575E-02 5.6443E-17 -6.0382E-05 -6.0810E-03 -6.0810E-03 1.3878E-17 8.2399E-18 6.9389E-18 -2.1684E-17 3.9459E-02
39 -2.2168E-02 9.4224E-18 -2.0904E-17 1.7664E-02 1.7664E-02 -1.2924E-16 -3.7817E-16 -8.6736E-19 2.1684E-19 1.3010E-18
40 2.0420E-02 7.5132E-03 -2.2757E-02 -3.8022E-03 2.6362E-02 -1.2143E-17 -5.2042E-18 -1.5613E-17 2.4551E-02 -3.2960E-17
41 -6.5583E-03 7.5132E-03 2.2757E-02 -2.6362E-02 3.8022E-03 4.6851E-17 1.2333E-17 2.4551E-02 -1.6846E-17 -2.2551E-17
42 1.3350E-02 -3.2727E-02 3.7979E-17 9.4871E-03 -9.4871E-03 4.3802E-17 -9.1507E-17 -8.6736E-18 1.2685E-17 -2.2226E-18
43 -5.3211E-03 1.4289E-17 -2.2757E-02 5.3995E-03 5.3995E-03 4.3368E-17 1.0408E-17 -1.7347E-17 -2.6021E-17 2.4551E-02
44 4.8416E-02 5.2516E-19 -3.6943E-02 -6.5132E-03 -6.5132E-03 2.4286E-17 1.0408E-17 3.9031E-18 -1.8757E-17 1.9418E-02
45 -6.2710E-02 -1.3298E-02 -2.2623E-02 5.2189E-02 2.5287E-02 -1.4745E-17 -6.9389E-18 -1.1891E-02 -8.6736E-18 -2.0600E-18
46 5.2119E-02 -1.3298E-02 2.2623E-02 -2.5287E-02 -5.2189E-02 1.1926E-17 6.5052E-19 -8.6736E-18 -1.1891E-02 3.8652E-17
47 -1.3298E-02 9.2544E-02 -1.8205E-17 -6.3762E-02 6.3762E-02 1.5179E-18 -2.8189E-18 -4.3368E-19 -3.1225E-17 1.5699E-16
48 2.2623E-02 -2.4388E-17 -7.7540E-02 2.9206E-02 2.9206E-02 6.4381E-02 1.8022E-02 2.4286E-17 -5.2042E-18 1.6480E-17
49 -2.5287E-02 -6.3762E-02 2.9206E-02 2.5169E-02 -3.7651E-02 2.1034E-17 4.1200E-18 1.5351E-02 -2.4069E-17 -4.3368E-19
50 -5.2189E-02 6.3762E-02 2.9206E-02 -3.7651E-02 2.5169E-02 1.7347E-17 8.6736E-19 2.8189E-17 -1.5351E-02 -1.4772E-18
31 32 33 34 35 36 37 38 39 40
31 -3.7361E-01
32 2.1684E-17 -3.7361E-01
33 -4.0658E-17 2.6021E-17 -3.7361E-01
34 -3.2960E-17 5.9740E-17 1.0397E-16 -5.7199E-02
35 7.1124E-17 8.0014E-02 1.4745E-17 -1.8621E-17 -1.1545E-01
36 8.0014E-02 7.8279E-17 -4.7705E-17 1.8648E-17 4.3368E-18 -1.1545E-01
37 3.7513E-17 8.8905E-17 -1.0842E-17 1.4311E-17 -4.5333E-17 -4.0739E-17 -5.7199E-02
38 -6.1583E-17 3.3827E-17 8.0014E-02 -4.5970E-17 0.0000E+00 -6.5052E-17 -3.2526E-18 -1.1545E-01
39 3.0358E-17 4.5536E-18 -3.4234E-17 -4.9135E-02 0.0000E+00 6.9863E-18 7.3726E-18 -1.3010E-17 5.1466E-01
40 -7.1991E-17 2.8156E-02 -9.5410E-17 2.1684E-19 -6.9347E-02 1.5613E-17 5.4210E-19 1.3878E-17 -1.7347E-18 4.9922E-01
41 2.8156E-02 -6.5974E-17 1.9082E-17 6.9999E-18 1.6480E-17 -6.9347E-02 -1.0347E-17 -6.6678E-18 1.4068E-17 3.2960E-17
42 -5.5077E-17 7.1557E-18 -3.5779E-18 6.5052E-18 1.7347E-18 -1.0727E-17 -4.9135E-02 2.1684E-19 2.6368E-16 -4.3368E-19
43 1.5613E-17 -9.5410E-17 2.8156E-02 -1.2794E-17 1.4745E-17 -5.9631E-18 4.3368E-19 -6.9347E-02 -2.6021E-17 3.6443E-17
44 6.2884E-18 -2.5153E-17 3.1853E-02 -8.6736E-17 5.2909E-17 1.6046E-17 6.2884E-18 -7.5462E-02 -3.2960E-17 2.0817E-17
45 -1.9506E-02 -6.2884E-18 -3.1876E-17 -1.2100E-16 -6.0878E-17 4.6211E-02 1.0842E-17 -1.1709E-17 -3.5128E-17 -4.3585E-17
46 -5.6379E-18 -1.9506E-02 1.3824E-17 -1.9949E-17 4.6211E-02 -7.3943E-17 -7.3726E-18 2.3419E-17 1.1276E-17 1.9435E-02
47 -3.8381E-17 -2.6183E-17 1.6480E-17 8.4568E-18 -7.4593E-17 4.5536E-18 -1.0712E-16 2.1359E-17 -1.3010E-18 -2.0817E-17
48 2.0817E-17 7.1557E-18 2.6888E-17 8.1315E-18 -3.8164E-17 -1.1449E-16 2.3581E-17 -8.3267E-17 4.7003E-16 3.6429E-17
49 2.5182E-02 -4.6404E-17 -1.7889E-17 -1.5179E-17 -2.1684E-18 -5.9658E-02 -1.0262E-16 9.4597E-18 -5.5294E-18 4.2013E-18
50 2.2118E-17 -2.5182E-02 -1.8974E-18 -9.3241E-18 5.9658E-02 -4.7434E-18 -2.2768E-17 -9.8879E-17 5.4210E-18 2.5090E-02
41 42 43 44 45 46 47 48 49 50
41 4.9922E-01
42 -3.0575E-17 5.1466E-01
43 -1.4393E-17 -4.3368E-19 4.9922E-01
44 -2.7756E-17 1.0842E-18 -3.1737E-02 7.8682E-01
45 1.9435E-02 -3.2526E-18 3.2526E-18 -8.5652E-18 7.7706E-01
46 -4.2650E-17 1.6914E-17 3.4694E-18 1.2414E-17 6.7221E-17 7.7706E-01
47 -1.3878E-17 -4.5320E-17 3.3610E-18 6.8522E-17 -1.6263E-17 -3.2445E-17 7.7120E-01
48 -4.8572E-17 3.5508E-18 -5.5511E-17 -3.2092E-17 2.0708E-17 -3.1117E-17 1.7347E-18 7.1786E-01
49 -2.5090E-02 -2.4882E-17 -3.3773E-17 -3.7947E-17 -7.5595E-03 2.4720E-17 -5.1554E-17 -2.6753E-17 7.8096E-01
50 -4.0861E-18 2.9382E-17 -2.6455E-17 -2.4882E-17 -1.9082E-17 7.5595E-03 5.5403E-17 -3.3719E-17 -5.4210E-18 7.8096E-01
K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K
EIGENVALUES AND RELATED INFORMATION ARE READ FROM FILE KRED.DAT (FULL BZ)
K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K K
SHRINKING FACTOR (MONKHORST NET) 2 2 2 NUMBER OF K POINTS IN THE IBZ 3
*******************************************************************************
*** K POINTS COORDINATES (OBLIQUE COORDINATES IN UNITS OF IS = 2)
1-R( 0 0 0) 2-R( 1 0 0) 3-R( 1 1 0)
GEOMETRICAL WEIGHT OF K POINTS - MONKHORST
0.12500 0.50000 0.37500
WEIGHT OF K POINTS FOR EACH BAND
BAND N 1
0.1250 0.5000 0.3750
BAND N 2
0.1250 0.5000 0.3750
BAND N 3
0.1250 0.5000 0.3750
BAND N 4
0.1250 0.5000 0.3750
BAND N 5
0.0000 0.0000 0.0000
BAND N 6
0.0000 0.0000 0.0000
BAND N 7
0.0000 0.0000 0.0000
BAND N 8
0.0000 0.0000 0.0000
BAND N 9
0.0000 0.0000 0.0000
BAND N 10
0.0000 0.0000 0.0000
BAND N 11
0.0000 0.0000 0.0000
BAND N 12
0.0000 0.0000 0.0000
BAND N 13
0.0000 0.0000 0.0000
BAND N 14
0.0000 0.0000 0.0000
BAND N 15
0.0000 0.0000 0.0000
BAND N 16
0.0000 0.0000 0.0000
BAND N 17
0.0000 0.0000 0.0000
BAND N 18
0.0000 0.0000 0.0000
BAND N 19
0.0000 0.0000 0.0000
BAND N 20
0.0000 0.0000 0.0000
BAND N 21
0.0000 0.0000 0.0000
BAND N 22
0.0000 0.0000 0.0000
BAND N 23
0.0000 0.0000 0.0000
BAND N 24
0.0000 0.0000 0.0000
BAND N 25
0.0000 0.0000 0.0000
BAND N 26
0.0000 0.0000 0.0000
BAND N 27
0.0000 0.0000 0.0000
BAND N 28
0.0000 0.0000 0.0000
BAND N 29
0.0000 0.0000 0.0000
BAND N 30
0.0000 0.0000 0.0000
BAND N 31
0.0000 0.0000 0.0000
BAND N 32
0.0000 0.0000 0.0000
BAND N 33
0.0000 0.0000 0.0000
BAND N 34
0.0000 0.0000 0.0000
BAND N 35
0.0000 0.0000 0.0000
BAND N 36
0.0000 0.0000 0.0000
BAND N 37
0.0000 0.0000 0.0000
BAND N 38
0.0000 0.0000 0.0000
BAND N 39
0.0000 0.0000 0.0000
BAND N 40
0.0000 0.0000 0.0000
BAND N 41
0.0000 0.0000 0.0000
BAND N 42
0.0000 0.0000 0.0000
BAND N 43
0.0000 0.0000 0.0000
BAND N 44
0.0000 0.0000 0.0000
BAND N 45
0.0000 0.0000 0.0000
BAND N 46
0.0000 0.0000 0.0000
BAND N 47
0.0000 0.0000 0.0000
BAND N 48
0.0000 0.0000 0.0000
BAND N 49
0.0000 0.0000 0.0000
BAND N 50
0.0000 0.0000 0.0000
RECIPROCAL LATTICE VECTORS COMPONENTS. (A.U.)
X Y Z
-0.6122438 0.6122438 0.6122438
0.6122438 -0.6122438 0.6122438
0.6122438 0.6122438 -0.6122438
EIGENVALUES (AU) - K= 1 ( 0 0 0)
-6.2047E-01 -2.7769E-01 -2.7769E-01 -2.7769E-01 -1.8323E-01 -1.8323E-01 -1.8323E-01 -1.4916E-01 1.0779E-02 1.0779E-02
1.5986E-01 1.5986E-01 1.5986E-01 6.6273E-01 6.6273E-01 6.9659E-01 6.9659E-01 6.9659E-01 7.0358E-01 7.0358E-01
7.0358E-01 8.2543E-01 8.2543E-01 8.2543E-01 8.4412E-01 9.6846E-01 1.1170E+00 1.1170E+00 1.1170E+00 1.2524E+00
1.2524E+00 1.4426E+00 1.4426E+00 1.4426E+00 1.5055E+00 1.5055E+00 1.5055E+00 1.5238E+00 1.5238E+00 1.5457E+00
1.5457E+00 1.5457E+00 1.6213E+00 1.6213E+00 1.6213E+00 3.4831E+00 4.5199E+00 4.5199E+00 4.5199E+00 5.3258E+00
EIGENVALUES (AU) - K= 2 ( 1 0 0)
-6.3308E-01 -5.3608E-01 -3.2268E-01 -3.2268E-01 -2.2236E-01 -1.5389E-01 -1.5389E-01 2.9973E-02 1.1736E-01 1.1736E-01
1.4893E-01 1.4893E-01 1.7399E-01 2.3742E-01 5.2705E-01 5.4950E-01 5.5074E-01 5.5074E-01 6.2231E-01 6.2231E-01
7.7173E-01 7.7173E-01 8.5638E-01 8.6771E-01 8.6826E-01 8.6826E-01 1.0631E+00 1.0631E+00 1.0739E+00 1.0739E+00
1.1248E+00 1.2637E+00 1.3577E+00 1.3899E+00 1.4353E+00 1.4353E+00 1.4694E+00 1.4694E+00 1.5570E+00 1.6166E+00
1.8753E+00 1.8753E+00 1.9166E+00 1.9166E+00 2.0115E+00 2.0115E+00 2.0799E+00 2.0799E+00 5.2523E+00 5.6581E+00
EIGENVALUES (AU) - K= 3 ( 1 1 0)
-5.6713E-01 -5.6713E-01 -3.8431E-01 -3.8431E-01 -2.5205E-01 -2.5205E-01 9.9509E-02 9.9509E-02 1.3883E-01 1.3883E-01
1.9050E-01 1.9050E-01 2.2558E-01 2.2558E-01 4.8001E-01 4.8001E-01 5.0041E-01 5.0041E-01 6.0172E-01 6.0172E-01
7.0294E-01 7.0294E-01 7.3371E-01 7.3371E-01 8.7841E-01 8.7841E-01 1.0804E+00 1.0804E+00 1.2039E+00 1.2039E+00
1.2286E+00 1.2286E+00 1.3098E+00 1.3098E+00 1.3876E+00 1.3876E+00 1.5579E+00 1.5579E+00 1.6463E+00 1.6463E+00
1.7758E+00 1.7758E+00 1.8157E+00 1.8157E+00 1.9066E+00 1.9066E+00 2.3089E+00 2.3089E+00 5.6043E+00 5.6043E+00
HAMILTONIAN EIGENVECTORS IN THE FULL BRILLOUIN ZONE
SYMMOPS - RECIPROCAL LATTICE
NO. 1 NO. 2 NO. 3 NO. 4
1 0 0 0 1 -1 -1 0 0 0 -1 1
0 1 0 1 0 -1 -1 0 1 0 -1 0
0 0 1 0 0 -1 -1 1 0 1 -1 0
NO. 5 NO. 6 NO. 7 NO. 8
0 0 1 0 1 0 1 -1 0 1 0 -1
1 0 0 0 0 1 0 -1 1 0 0 -1
0 1 0 1 0 0 0 -1 0 0 1 -1
NO. 9 NO. 10 NO. 11 NO. 12
0 0 -1 -1 0 1 -1 1 0 0 -1 0
0 1 -1 -1 1 0 -1 0 0 1 -1 0
1 0 -1 -1 0 0 -1 0 1 0 -1 1
NO. 13 NO. 14 NO. 15 NO. 16
0 -1 0 -1 0 1 1 0 -1 0 1 0
-1 0 0 0 -1 1 1 0 0 0 1 -1
0 0 -1 0 0 1 1 -1 0 -1 1 0