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|
! Stress tensor of hexagonal tellurium.
tasks
0
440
500
test
.true.
tforce
.true.
deltast
0.01
epsengy
1.e-7
rgkmax
8.0
ngridk
8 8 8
avec
4.2636082 -7.3847860 0.0000000
4.2636082 7.3847860 0.0000000
0.0000000 0.0000000 11.2457997
sppath
'../../species/'
atoms
1 : nspecies
'Te.in' : spfname
3 : natoms; atposl below
-0.268334780 -0.268334780 0.000000000
0.268334780 0.000000000 0.333333333
0.000000000 0.268334780 0.666666666
|
