[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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