there is no 1s in the O pseudopotential... so there cannot be any projected dos for it. stefano
????? ?????? 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 > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >