[Pw_forum] projwfc.x
Stefano de Gironcoli
degironc at sissa.it
Mon Nov 12 17:52:45 CET 2007
there is no 1s in the O pseudopotential... so there cannot be any
projected dos for it.
stefano
ÇÍÓÇä ÚÑíÞÇÊ wrote:
> Hi
> when I run projected wavefunction for oxygen by using
> this file for projwfc.x
> &inputpp
> outdir=/'
> prefix = 'O'
> Emin=-100.0, Emax=100.0, DeltaE=0.001
> ngauss=1, degauss=0.01
> it give me file for 1s and 2p only there is no file
> for 2s ..... what`s wrong ..please answer me.
> you don`t answer me when I asked about
> hybridization....
> thanks
> Ihsan
> Jordan university
>
>
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