[Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3

[Paolo Giannozzi]

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