[Pw_forum] problem with bands.x

Abdullah N. Albarakati anbarakati at uqu.edu.sa
Wed Sep 21 20:26:06 CEST 2016


Dear experts,

I want to calculate bans structure for a system having 80 atoms.  I run a scf and bands calculations and then UI used bands.x .  The output of bands.x is below

"     Program BANDS v.5.0.2 (svn rev. 9392) starts on 21Sep2016 at 21: 3:39

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote.php

     Parallel version (MPI), running on     1 processors

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine bands (1):
     gamma_only case not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ..."

What is the wrong ?

The three input files are attached,

Thank you in advance

Abdullah



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