[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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