[Pw_forum] nscf
H.S.Domingos
hsd22 at hermes.cam.ac.uk
Thu Oct 12 17:38:24 CEST 2006
Dear All,
I would like to ask if using nscf is the same as using scf with
electron_maxstep = 1 and startingpot = 'file from previous scf or
vc-relax run' ?
Thank you very much.
Best regards,
Helder
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| Dr. Helder S. Domingos |
| |
| INESC Microsyst & Nanotechnol, Lisbon, P-1000 Portugal |
| and |
| R&D unit for Molecular Chemical Physics |
| Chemistry Department, University of Coimbra |
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