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|
! Band structure of lead with spin-orbit coupling.
tasks
0
20
spinpol
.true.
spinorb
.true.
nempty
8
rgkmax
8.0
avec
0.0 0.5 0.5
0.5 0.0 0.5
0.5 0.5 0.0
scale
9.3541
sppath
'../../../species/'
atoms
1 : nspecies
'Pb.in' : spfname
1 : natoms
0.0 0.0 0.0 0.0 0.0 0.0 : atposl, bfcmt
ngridk
8 8 8
plot1d
7 200 : nvp1d, npp1d
0.0 0.0 1.0 : vlvp1d
0.5 0.5 1.0
0.0 0.0 0.0
0.5 0.0 0.0
0.5 0.5 0.0
0.5 0.25 -0.25
0.5 0.0 0.0
|
