w2web sets during the initialization some flags, so that it knows what your calculation is supposed to do.
For instance the flag "spin-polarization" is set when you answer "yes" to the corresponding question at the end of init_lapw. I suppose, you did "manually" a spin-polarized calculation, but you never "told" w2web, that it is spin-polarized. Thus w2web wanted to produce a non-spinpolarized DOS. You can change in "Session management / change info" the corresponding flag and it should work. Am 21.01.2012 18:16, schrieb sufyan: > Dears developers and users > > i run WIEN2K (11.1) for my case and it has converged successfully the sfc > using the commands "Manually" ,but when i want calculate the DOS either using > w2web or the commands > i have this > Error in LAPW2 > 'LAPW2' - can't open unit: 18 > 'LAPW2' - filename: aflamno3-2.vsp > 'LAPW2' - status: old form: forma > > i need any suggestions for treat this problem > thanks > sufyan naji > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------
