Oh well. There was still a bug in the "fixed" version (a rather subtle one), please try the new version of qexml.f90 (11035)
P. On Sat, 2014-06-07 at 08:38 -0400, Jin Chang wrote: > I have replaced qexml.f90 with the new version (11034) and recompiled > the code. Unfortunately, I do not see any change in the output error message > when I run projwfc.x. I kept both vdW_kernel_table and rVV10_kernel_table > in the output/prefix.save folder. > > Do you have any thoughts or suggestions? > > Thank you for your help. > > All the best, > > > Jin Chang > > On Jun 6, 2014, at 11:36 AM, Paolo Giannozzi <paolo.giannozzi at uniud.it> > wrote: > > > There was actually a deeper problem (not affecting scf calculations, > > though). Try this: > > http://qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=% > > 2F&view=rev&sortby=rev&sortdir=down&revision=11034 > > in particular, the new file Modules/qexml.f90 > > > > P. > > On Fri, 2014-06-06 at 10:19 -0400, Jin Chang wrote: > >> Thank you very much for your prompt answer. I checked my previous > >> calculations using vdW-DF > >> and found that the vdW_kernel_table was copied in the prefix.save folder, > >> which didn't happen for > >> rVV10 case. > >> > >> So I did copy the rVV10_kernel_table there (same folder where the copied > >> UPF file resides) but > >> received the same error message. I was not sure if it is looking for the > >> vdW_kernel_table (I don't > >> think it should) so I also placed the vdW_kernel_table but the error > >> message didn't change. In the > >> $prefix.save folder, I have rVV10_kernel_table, vdW_kernel_table, > >> charge_density.dat, data-file.xml, > >> charge_density.old.dat, and many K00## folders. > >> > >> Is there something that I am not doing right? > >> > >> Thank you again for your help and suggestions. > >> > >> All the best, > >> > >> > >> Jin Chang, University of Toronto > >> > >> > >> > >> > >> > >> > >> > >> > >> > >> _______________________________________________ > >> Pw_forum mailing list > >> Pw_forum at pwscf.org > >> http://pwscf.org/mailman/listinfo/pw_forum > > > > -- > > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > > Phone +39-0432-558216, fax +39-0432-558222 > > >
