[Pw_forum] Fwd: Error in executing projwfc.x

Manu Hegde mhegde at uwaterloo.ca
Sat Dec 21 04:21:25 CET 2013


Hello,
I am geting error while executing projwfc.x. I could not see any mistakes
in my input file. Please have a look at my both input and output file,

&PROJWFC
                      prefix = 'ganband' ,
                      outdir = '/home/owner/' ,
                     filpdos = 'ganbandprojwfc' ,
                     filproj = 'ganbandprojwfc' ,
                      ngauss = 0 ,
                     degauss = 0.01 ,
                      DeltaE = 0.01 ,
                        lsym = 1 ,
                kresolveddos = 1 ,
                        Emin = -20 ,
                        Emax = 20 ,
 /

Output file is,


     Program PROJWFC v.5.0.2 (svn rev. 9392) starts on 20Dec2013 at
20:53:41

     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

     Serial version
*** namelist &inputpp no longer valid: please use &projwfc instead

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine do_projwfc (5010):
     reading projwfc namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

Please have a look,

Regards,
Manu
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