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
|
0.000000 0.000000 0.000000 10 3
0.272680E-08 0.272680E-08 0.272680E-08
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)= 0.0000 gamma= 0.00 GHz
lambda( 2)= 0.0000 gamma= 0.00 GHz
lambda( 3)= 0.0000 gamma= 0.00 GHz
Gaussian Broadening: 0.015 Ry, ngauss= 0
DOS = 2.123229 states/spin/Ry/Unit Cell at Ef= 8.328621 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: 0.020 Ry, ngauss= 0
DOS = 2.249739 states/spin/Ry/Unit Cell at Ef= 8.324319 eV
lambda( 1)= 0.0000 gamma= 0.02 GHz
lambda( 2)= 0.0000 gamma= 0.03 GHz
lambda( 3)= 0.0000 gamma= 0.03 GHz
Gaussian Broadening: 0.025 Ry, ngauss= 0
DOS = 2.329803 states/spin/Ry/Unit Cell at Ef= 8.317861 eV
lambda( 1)= 0.0000 gamma= 0.08 GHz
lambda( 2)= 0.0000 gamma= 0.10 GHz
lambda( 3)= 0.0000 gamma= 0.09 GHz
Gaussian Broadening: 0.030 Ry, ngauss= 0
DOS = 2.396029 states/spin/Ry/Unit Cell at Ef= 8.311296 eV
lambda( 1)= 0.0000 gamma= 0.16 GHz
lambda( 2)= 0.0000 gamma= 0.19 GHz
lambda( 3)= 0.0000 gamma= 0.17 GHz
Gaussian Broadening: 0.035 Ry, ngauss= 0
DOS = 2.455226 states/spin/Ry/Unit Cell at Ef= 8.305262 eV
lambda( 1)= 0.0000 gamma= 0.25 GHz
lambda( 2)= 0.0000 gamma= 0.28 GHz
lambda( 3)= 0.0000 gamma= 0.26 GHz
Gaussian Broadening: 0.040 Ry, ngauss= 0
DOS = 2.507873 states/spin/Ry/Unit Cell at Ef= 8.299956 eV
lambda( 1)= 0.0000 gamma= 0.35 GHz
lambda( 2)= 0.0000 gamma= 0.39 GHz
lambda( 3)= 0.0000 gamma= 0.37 GHz
Gaussian Broadening: 0.045 Ry, ngauss= 0
DOS = 2.552966 states/spin/Ry/Unit Cell at Ef= 8.295411 eV
lambda( 1)= 0.0000 gamma= 0.46 GHz
lambda( 2)= 0.0000 gamma= 0.52 GHz
lambda( 3)= 0.0000 gamma= 0.50 GHz
Gaussian Broadening: 0.050 Ry, ngauss= 0
DOS = 2.589582 states/spin/Ry/Unit Cell at Ef= 8.291553 eV
lambda( 1)= 0.0000 gamma= 0.59 GHz
lambda( 2)= 0.0000 gamma= 0.66 GHz
lambda( 3)= 0.0000 gamma= 0.63 GHz
|
