Errors with Berry Phase ZnS

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Karenmagic
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Newbie
Posts: 2
Joined: Mon Feb 11, 2013 9:38 pm

Errors with Berry Phase ZnS

#1 Post by Karenmagic » Tue Feb 12, 2013 9:03 pm

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!!!
Last edited by Karenmagic on Tue Feb 12, 2013 9:03 pm, edited 1 time in total.

support_vasp
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Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: Errors with Berry Phase ZnS

#2 Post by support_vasp » Thu Sep 12, 2024 8:26 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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