[Pw_forum] projwfc.x

ÇÍÓÇä ÚÑíÞÇÊ ihsanas at yahoo.com
Mon Nov 12 16:20:20 CET 2007


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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