On Apr 12, 2013, at 11:35 AM, Sakhrawi Taoufek wrote: > Dear all, > i use the same for pdos calculation with projwfc.x, it works with > espresso-4.3.2 but not with espresso-5.0.1 with the error message : > > Error in routine projwfc (1): reading projwfc namelist > > my input is : > &inputpp > prefix='fe', > outdir='$outdir', > degauss=0.01, > Emin=2.0, Emax=22.0, DeltaE=0.1, smoothing=0.3, > / > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
The name of the namelist read from some post-processing tools has been changed (for better clarity) in the more recent versions. Replace &inputpp with &PROJWFC You can find more information in espresso-5.0.1/PP/Doc/INPUT_PROJWFC.txt Giovanni -- **** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Scienze Fisiche Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele http://www.nanomat.unina.it -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130412/f543cd4f/attachment.html
