On Friday 01 October 2004 02:18, Hong, SamPyo wrote: > I think ecut of 20 ryd and k-sampling of 15x15x15 should be > enough for test. you think or you did convergence tests? -- 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