[Pw_forum] Help me with the Band Structure Calculation
Gabriele Sclauzero
sclauzer at sissa.it
Mon Feb 23 10:16:37 CET 2009
lan haiping wrote:
> Hi, the weights of kpoints can be set to any value as decribed in the Doc.
You're right, but for this type of calculation only. Please be careful that's not the case
in nscf calculations that will be used for DOS like calculations, for instance (maybe
that's obvious, but I just wanted to point it out).
Regards,
GS
>
> On Mon, Feb 23, 2009 at 3:21 PM, yccheng.nju <yccheng.nju at gmail.com
> <mailto:yccheng.nju at gmail.com>> wrote:
>
> You should set all number to "1" in the fourth column in kpoints.
> You have 311 K points, why you just give 5 in the input file. The
> error message have told you what your problem is !
>
>
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| Gabriele Sclauzero, PhD Student |
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