Hello, only to complete Stefano's observation: to obtain an imaginary phonon wavevector, the q-vector must not be at the high symmetric points of the Brillouin zone.
good continuation Horacio W. LEITE ALVES Departamento de Ci?ncias Naturais Universidade Federal de S?o Jo?o del Rei Caixa Postal: 110 CEP: 36.300-000 S?o Jo?o del Rei - MG Fone: (55)(32)33.79.24.89 Fax: (55)(32)33.79.24.83 --------- Mensagem Original -------- De: pw_forum at pwscf.org Para: pw_forum at pwscf.org <pw_forum at pwscf.org> Assunto: [Pw_forum] imaginary eigenvectors Data: 26/05/06 16:19 > > Hello, > > I had a quick phonon question...is there a physical interpretation to a mode > which is imaginary with a positive frequency? > > Eric > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > ________________________________________________ Message sent using UebiMiau 2.7.2
