[Wien] hf calculations

[Sebastien Petit]

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 0.0001 -NI //
//exit/
  The calculation gives a "GAP" of 4.764 eV (as in exercice 13 of
http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Exercises_13.pdf)

ii) After a /save_lapw/, i use the programs /init_hf_lapw/ (with 
NBAND=12 and a 4x4x4 k-point mesh without reduction)
and run_lapw -hf /-ec 0.0001 -NI //and ...
The message are :
LAPW0 END
  LAPW0 END
  LAPW1 END
mv: ne peut évaluer `MgO.vector': Aucun fichier ou répertoire de ce type
  LAPW1 END
mv: ne peut évaluer `MgO.vectorhf_old': Aucun fichier ou répertoire de 
ce type
FOURIR2 - Error

 >   stop error

/
iii) In the log file, I can read :/

  (x) lapw0 -grr
  (x) lapw0
  (x) lapw1
  (x) lapw1
  (x) lapw2

/In the scratch disk, I find the file  called MgO.vector (generated by 
the first /lapw1/). But, i don't
have the MgO.vectorhf file (generated by the second lapw1, yes ? no ?)...


I think it is a very "simple" mistake, but i can not find it ... --))

Thanks  for your help

Sebastien Petit
/

/
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