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 >
