Re: [Pw_forum] Pw_forum Digest, Vol 125, Issue 23

I have no serial executable, and have never built one, and it runs fine in parallel (except for this). I fixed the problem by changing: !RECIF ( opnd ) CLOSE( UNIT = unit, STATUS = status ) IF ( opnd ) CLOSE( UNIT = unit ) in qe-6.2.1_fat/PW/src/buffers.f90 I think the problem, in my

[Pw_forum] In the presence of electric field: which parameter help with convergence

Dear all, a happy new year! I have recently played with 2-D materials (yes, graphene) and electric fields. I encountered several situations where convergence is really hard to achieve and I was wondering which of the following parameters is usually considered to be helping with convergence