Re: [Wien] Fwd: Likely source/s of stupid kgen error

2016-09-08 Thread Fecher, Gerhard
or should it be (n(2).ne.n(3)) instead of (n(1).ne.n(3)) in the last (iarb(3)) case ?? Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is."

[Wien] Hybrid functional

2016-09-08 Thread Bara abujafar
Dear Wien2k developers and users,Hi!I want to do hybrid functional calculations but I couldn't make it. I have searched in the mailing list for a procedure to follow it as the mBJ procedure and I didn't succeeded yet. I would be thankful for any kind of help in showing me how to run the hybrid

Re: [Wien] Hybrid functional

2016-09-08 Thread tran
Hi, The steps to use the hybrid functionals (on-site and full) are explained in the user's guide. On Thursday 2016-09-08 13:36, Bara abujafar wrote: Date: Thu, 8 Sep 2016 13:36:28 From: Bara abujafar Reply-To: A Mailing list for WIEN2k users