[Pw_forum] charge-density.dat file missing after SCF calculations

Paolo Giannozzi giannozz at democritos.it
Tue Jan 10 18:55:13 CET 2012


On Jan 10, 2012, at 14:38 , Kiss, Ioan wrote:

> However, after the NSCF calculation is finished there is no
> charge-density.dat file present in the prefix.save directory


this sounds hard to believe to me. The non-scf calculation
doesn't destroy the charge density file.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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