[Pw_forum] post-processing for band structure

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Mar 13 21:24:01 CET 2013


On Wed, 2013-03-13 at 15:24 +0100, yelena wrote:

>       from bands : error #         1
>       gamma_only case not implemented

it's a known problem, explained several times and fixed 
in the patches: http://www.quantum-espresso.org/?p=1616 
Quick solution: edit PP/src/bands.f90, move line
  IF (gamma_only) CALL errore('bands','gamma_only case not
implemented',1)
after line
  CALL read_file()
recompile. 

P. 
-- 
Paolo Giannozzi, DCFA, Univ. Udine





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