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
53
54
55
56
57
58
59
60
61
|
! Example for the revised bootstrap kernel (RBO) of S. Rigamonti, et al.,
! Phys. Rev. Lett. 114, 146402.
tasks
0 ! ground-state calculation
120 ! compute momentum matrix elements
121 ! compute RPA dielectric function with no local field contributions
320 ! compute TDDFT dielectric function with local field contributions
! scissor shift
scissor
0.192
xctype
3
! RBO kernel
fxctype
212
! smearing width
swidth
0.01
! G-vector cut-off of exchange-correlation kernel and response function
gmaxrf
0.0
nempty
8
lradstp
2
wplot
800 100 0 : nwplot, ngrkf, nswplot
0.0 1.5 : wplot
avec
3.80402 3.80402 0.0
3.80402 0.0 3.80402
0.0 3.80402 3.80402
sppath
'../../../species/'
atoms
2 : nspecies
'Li.in' : spfname
1 : natoms; atposl below
0.0 0.0 0.0
'F.in'
1
0.5 0.5 0.5
ngridk
8 8 8
vkloff
0.25 0.5 0.625
|
