[Pw_forum] nbnd option

[Giuseppe Mattioli]

Dear B S Bhushan
Manuals often contain answers!

   Variable:       nbnd

   Type:           INTEGER
   *Default*:        for an insulator, nbnd = number of valence bands
                   (nbnd = # of electrons /2);
                   for a metal, 20% more (minimum 4 more)
   Description:    number of electronic states (bands) to be calculated.
                   Note that in spin-polarized calculations the number of
                   k-point, not the number of bands per k-point, is doubled

HTH
Giuseppe

P.S. Please sign all the posts to the forum with name and affiliation.

On Wednesday, June 21, 2017 07:02:59 PM B S Bhushan wrote:
> Dear experts,
> 
> What happens if the nbnd option is not mentioned in the script ?.
> Do the code considers all possible valence bands in such situation ?.
> 
> Thank you very much for your time.
> 
> with sincere regards,
> B S Bhushan

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   Giuseppe Mattioli                            
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