[Wannier] Error in routine card_kpoints (1)

Zeina Al-Dolami zaldolam at email.uark.edu
Fri Dec 12 23:28:17 CET 2014


I think I know what the problem was. Many thanks !!

On Fri, Dec 12, 2014 at 1:22 PM, Zeina Al-Dolami <zaldolam at email.uark.edu>
wrote:
>
> To wannier's owners and developers,
> Thanks to everyone for helping us. I have a problem when running nscf
> calculations. I have generated the k ponits for my system using wannier
> utility kmesh.pl. I copied and pasted them to my nscf input file.
> However, it crashed and I got the below error message:
>  Error in routine card_kpoints (1)
> In order to fix it, I have modified the way that these kpoints were
> written by including one digit after the zero. Despite the fact that I have
> tried different ways of writing these kpoints  by including two or not any,
> I have gotten the same error. Would you please help me with it? I might
> have misunderstood the error message. Please let me know what you think.
> Looking forward to hearing from you and many thanks in advance
>
> I appreciate your time
> Zeina
>
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