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|
! Force test with spin-orbit coupling, removal of the source term from B_xc and
! application of a constanst A-field
tasks
0
500
test
.true.
spinorb
.true.
nosource
.true.
tforce
.true.
bfieldc
0.0 0.0 0.1
afieldc
0.0 0.5 0.0
rgkmax
6.0
maxscl
4
scale
5.496
avec
1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
atoms
2 : nspecies
'Fe.in' : spfname
1 : natoms
0.0 0.0 0.0 0.1 0.2 0.3 : atposl, bfcmt
'Al.in'
1
0.51 0.52 0.485 0.4 0.4 -0.4 : atposl, bfcmt
sppath
'../../species/'
ngridk
4 4 4
vkloff
0.25 0.5 0.625
|
