[Wien] vector file

[Peter Blaha]

During scf this is of course not possible. How would you calculate the 
charge density without eigenvectors (wave functions).

However, for a plain bandstructure plotting (or 3D-fermi-surfaces, where 
you may really want to use a dense k-mesh) you can switch it off in 
case.in1 by setting SUPWF (see UG).

PS: A harddisc costs 50-100 Euro ...

On 11/18/2015 03:29 AM, Yundi Quan wrote:
> Is it possible to turn off writing the vector file in the scf run? I'm
> trying to do a calculation with very fine k-mesh. But the disk space of
> my computer is limited.
>
>
> Thanks.
>
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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