[Pw_forum] band structure

Raj kamal rajkamalloyola at gmail.com
Mon Jun 6 12:33:45 CEST 2016


dear QE experts
below shown  my input and output error.please suggest me to solve this
problem.
this error like tag exxdiv_treatment=gygi-baldereschi, when use this shown
error and after removing this tag the program runs.



&BANDS
prefix= 'RGO' ,
outdir= '/home/r/espresso-5.3.0/temp/' ,
filband= 'bands.dat'
/


  Program BANDS v.5.3.0 (svn rev. 11974) starts on 22Nov2013 at 21: 3:10

     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

     Parallel version (MPI), running on     8 processors
     R & G space division:  proc/nbgrp/npool/nimage =       8
*** namelist &inputpp no longer valid: please use &bands instead

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine bands (1):
     reading bands namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 5 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------​

-- 
*Best regards,*
*Rajkamal.A.*
*Research Scholar,(SRM UNIV).*
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