Tram Bui wrote: > isn't the newer version supposed to work better than the older one?
it is (after all this is why there are new versions) but new versions fix old bugs and introduce new ones. This is clearly a bug and will be fixed soon. Meanwhile, use K_POINTS tpiba 1 0.0 0.0 0.0 1.0 instead of K_POINTS gamma It is slower but it converges very quickly (it should converge exactly in the same way,but it doesn't, for some obscure reason) P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
