[Pw_forum] Help me with the Band Structure Calculation

willy kohn willykohn at gmail.com
Mon Feb 23 15:24:03 CET 2009


Hi,

I met this problem before. It occurred when I used "<" to feed the input
file to pw.x. I solved this problem by use "-inp" instead of "<" like the
following:

pw.x -inp xxx.in > xxx.out

Hopefully, this information can help you.

Best,

Wei

On Mon, Feb 23, 2009 at 2:31 AM, 潘登 <panda.deng.pan at gmail.com> wrote:

> Dear yccheng.nju
>
> > You should set all number to "1" in the fourth column in kpoints. You
> have
>
> I have set all the number to '1',
>
>
> > 311 K points, why you just give 5 in the input file. The error message
> have
>
> I ommit the other points in the email
>
> > told you what your problem is !
> >
>
> I just know where the problem is. But I do not know what I have done
> wrong. It is not the problem you mentioned. Thank you all the same.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
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