Good morning to everyone.
I have some problem with Wyckoff Positions…..
this is my input but in the output i found only 2 atoms and not 8…..
Someone can tell me where i make a mistake??
&control
pseudo_dir='/Users/lorenzodona/Downloads/espresso-5.4.0/pseudo'
verbosity= high,
/
&system
a= 3.56679, space_group = 227,
nat= 1, ntyp= 1,
ecutwfc =15.0,
/
&electrons
mixing_beta = 0.7
/
ATOMIC_SPECIES
C 12.010 C.pbe-van_ak.UPF
ATOMIC_POSITIONS crystal_sg
C 8a
K_POINTS automatic
4 4 4 0 0 0
Thanks a lot
lorenzo
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