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Hi, I am new here, last week I started a Berry Phase calculation for ZnS in a 12X12X12 box. Everytime the calculation stopped by "initial charge density was supplied:" and I don?t understand why...
Here my Incar:

System = ZnS, P63cm

#ISTART = 0
#ICHARG = 2
ISMEAR = 0
SIGMA = 0.002
ISIF = 2
IBRION = 2
POTIM = 0.1
EDIFF = 1E-06
EDIFFG = 1E-04
NSW = 25
PREC = HIGH
LAECHG = T
NWRITE = 3
ISYM = 1
LREAL = F
NGX = 32
NGY = 32
NGZ = 50
ENCUT = 300
LBERRY = .TRUE.
IGPAR = 2
NPPSTR = 12
DIPOL = 0.5 0.5 0.5

I hope u guys can help me and find out my mistake...
Thanks a lots!!!

Hi,

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