[Pw_forum] Fwd: Error in executing projwfc.x

Manu Hegde mhegde at uwaterloo.ca
Sat Dec 21 17:15:21 CET 2013


Dear Paolo,
Do you mean, I have to use character?. It is still showing the error and
frustrating. Name list looks OK. I could not find any error! Here is my
input and output file..

 &PROJWFC
                      prefix = 'gandband' ,
                      outdir = '/home/owner/' ,
                     filpdos = 'galiumlpdos' ,
                     filproj = 'oxygenlproj' ,
                      ngauss = 0 ,
                     degauss = 0.01 ,
                      DeltaE = 0.01 ,
                        lsym = 0 ,
                kresolveddos = 0 ,
                        Emin = -20 ,
                        Emax = 20 ,
                 tdosinboxes = 0 ,
 /



     Program PROJWFC v.5.0.2 (svn rev. 9392) starts on 21Dec2013 at
11:11:39

     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

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*** namelist &inputpp no longer valid: please use &projwfc instead

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

     stopping ...



On Sat, Dec 21, 2013 at 1:30 AM, Paolo Giannozzi
<paolo.giannozzi at uniud.it>wrote:

> On Fri, 2013-12-20 at 22:21 -0500, Manu Hegde wrote:
>
>
> >                         lsym = 1
>
> wrong: lsym=.true.
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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