On Tuesday 16 May 2006 15:10, ?? ? wrote: > when I calculate the phonon frequencies under pressure, > it appears error in nscf file like this : > from potinit :error > starting and expected charges differ
you are starting from a charge density file that is not consistent with the system you are trying to solve. This has nothing to do with "phonons under pressure" 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
