1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
|
0.500000 -0.500000 0.500000 10 3
0.182053E-05 0.182053E-05 0.820329E-05
Gaussian Broadening: 0.005 Ry, ngauss= 0
DOS = 1.339210 states/spin/Ry/Unit Cell at Ef= 8.321793 eV
lambda( 1)= 0.0000 gamma= 0.00 GHz
lambda( 2)= 0.0000 gamma= 0.00 GHz
lambda( 3)= 0.0000 gamma= 0.00 GHz
Gaussian Broadening: 0.010 Ry, ngauss= 0
DOS = 1.881761 states/spin/Ry/Unit Cell at Ef= 8.327153 eV
lambda( 1)= 0.0285 gamma= 1.01 GHz
lambda( 2)= 0.0269 gamma= 0.95 GHz
lambda( 3)= 0.0402 gamma= 6.41 GHz
Gaussian Broadening: 0.015 Ry, ngauss= 0
DOS = 2.123229 states/spin/Ry/Unit Cell at Ef= 8.328621 eV
lambda( 1)= 0.0658 gamma= 2.63 GHz
lambda( 2)= 0.0625 gamma= 2.50 GHz
lambda( 3)= 0.1010 gamma= 18.18 GHz
Gaussian Broadening: 0.020 Ry, ngauss= 0
DOS = 2.249739 states/spin/Ry/Unit Cell at Ef= 8.324319 eV
lambda( 1)= 0.0771 gamma= 3.26 GHz
lambda( 2)= 0.0736 gamma= 3.12 GHz
lambda( 3)= 0.1271 gamma= 24.24 GHz
Gaussian Broadening: 0.025 Ry, ngauss= 0
DOS = 2.329803 states/spin/Ry/Unit Cell at Ef= 8.317861 eV
lambda( 1)= 0.0823 gamma= 3.61 GHz
lambda( 2)= 0.0793 gamma= 3.48 GHz
lambda( 3)= 0.1424 gamma= 28.13 GHz
Gaussian Broadening: 0.030 Ry, ngauss= 0
DOS = 2.396029 states/spin/Ry/Unit Cell at Ef= 8.311296 eV
lambda( 1)= 0.0855 gamma= 3.85 GHz
lambda( 2)= 0.0831 gamma= 3.75 GHz
lambda( 3)= 0.1514 gamma= 30.76 GHz
Gaussian Broadening: 0.035 Ry, ngauss= 0
DOS = 2.455226 states/spin/Ry/Unit Cell at Ef= 8.305262 eV
lambda( 1)= 0.0875 gamma= 4.04 GHz
lambda( 2)= 0.0857 gamma= 3.96 GHz
lambda( 3)= 0.1565 gamma= 32.58 GHz
Gaussian Broadening: 0.040 Ry, ngauss= 0
DOS = 2.507873 states/spin/Ry/Unit Cell at Ef= 8.299956 eV
lambda( 1)= 0.0891 gamma= 4.21 GHz
lambda( 2)= 0.0877 gamma= 4.14 GHz
lambda( 3)= 0.1599 gamma= 34.00 GHz
Gaussian Broadening: 0.045 Ry, ngauss= 0
DOS = 2.552966 states/spin/Ry/Unit Cell at Ef= 8.295411 eV
lambda( 1)= 0.0904 gamma= 4.34 GHz
lambda( 2)= 0.0893 gamma= 4.29 GHz
lambda( 3)= 0.1625 gamma= 35.18 GHz
Gaussian Broadening: 0.050 Ry, ngauss= 0
DOS = 2.589582 states/spin/Ry/Unit Cell at Ef= 8.291553 eV
lambda( 1)= 0.0912 gamma= 4.44 GHz
lambda( 2)= 0.0904 gamma= 4.40 GHz
lambda( 3)= 0.1646 gamma= 36.14 GHz
|
