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- [Pw_forum] problem Mousumi Upadhyay Kahaly
- [Pw_forum] problem Axel Kohlmeyer
- [Pw_forum] Projected density of states Pingo Mutombo
- [Pw_forum] Projected density of state... Gerardo Ballabio
- [Pw_forum] Projected density of s... Pingo Mutombo
- [Pw_forum] problem Paolo Giannozzi
