[Pw_forum] bands.x help

H*X 85904751 at qq.com
Sun Mar 16 12:17:57 CET 2014


Hi, all,  While running a band structure calculation of bulk silicon, running bands.x < bands.in > bands.out gives me the following error:
 Program BANDS v.5.0.2 (svn rev. 9392) starts on 16Mar2014 at 18:25:47 


 
    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 ...





  Espresso-5.0.2-5.0.3.diff have been downloaded and installed. I am confused with the problem for a few days. It is very kind of you to help me.




Best regards, 
                    Xin He
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