Re: [Wien] error in mixer upon changed k-points

2014-03-14 Thread Peter Blaha
I guess it is a spin-polarized case and SO has reduced symmetry (either more non-equivalent atoms or at least less symmetry and thus more K-vector stars). In principle, symmetso is supposed to handle this situation, but I've heared before that it does not work in all cases. (or did you forge

[Wien] error in mixer upon changed k-points

2014-03-14 Thread Elias Assmann
Hi, I encountered the following error after generating a new klist: At line 968 of file mixer.F (unit = 22, file = 'svo.scf') Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, possibly use REWIND or BACKSPACE The klist changed in the course of ‘initso’. After I re