[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*** namelist &inputpp no longer valid: please use &projwfc instead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
>
> _______________________________________________
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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