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|
! TDDFT+U time evolution test
tasks
0
450
460
500
test
.true.
dft+u
1 5
1 2 0.2
ramdisk
.true.
tshift
.false.
tforce
.true.
ntsforce
10
lradstp
5
rgkmax
6.0
ngridk
4 4 4
nempty
6
tstime
50.0
dtimes
1.0
pulse
1
0.0 0.0 250.0 0.03 0.0 0.0 30.0 10.0
ntswrite
0
spinpol
.true.
spinorb
.true.
bfieldc
0.0 0.0 0.01
avec
1.0 1.0 0.0
1.0 0.0 1.0
0.0 1.0 1.0
scale
3.33
sppath
'../../species/'
atoms
1
'Ni.in'
1
0.0 0.0 0.0
|
