Hi,
For hf calculations the scratch directory needs to be the same as the
working directory. You have to set your SCRATCH as ./
We will change that in the next release of WIEN2k such that hf works also
with another directory for scratch.
F. Tran
On Fri, 13 Dec 2013, Sebastien Petit wrote:
De
Dear,
I try to use Wien2k + hybrid calculation on a very simple compound MgO
(obviously, this is a test).
The version of wien2k is : WIEN2k_13.1 (Release 17/6/2013).
i) The DFT calculation seems ok.
My batch is
/#!/bin/bash//
// init_lapw -vxc 13 -ecut -6.0 -numk 1000 -b//
// run_lapw -ec 0.
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