[Pw_forum] error in phonon calculation

Paolo Giannozzi giannozz at nest.sns.it
Tue Nov 16 14:42:19 CET 2004

On Tuesday 16 November 2004 14:02, Stefano de Gironcoli wrote:

> The message you mention should come out when performing a
> calculation with lsda flag on and fixed occupation

actually this message shows up also in a spin-polarized calculation
with free occupations but no smearing or tetrahedron technique.
This case used to be forbidden in the self-consistent calculation,
but I think it is allowed now, so the message might be obsolete


Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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