[Pw_forum] Projected density of states

Pingo Mutombo mutombo at fzu.cz
Thu Mar 31 19:14:40 CEST 2005


Dear PWSCF Users,

How can I compute the projected density of states for selected atoms of 
a given supercell? I can calculate the total DOS for a  Si(111)-7x7 
surface. However  I am unable to calculate the  projected density of 
states  probably because of the big size of the unit cell(249 atoms). At 
least I would like to calculate  the projected density  of states for 
selected Si atoms (adatom and rest atoms).
Best regards,
                                               Pingo



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