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 -- 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
