[Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional

[Paolo Giannozzi]

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
> >> 
> >> 
> >> 
> >> 
> >> 
> >> 
> >> 
> >> 
> >> 
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> > 
> > -- 
> > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
> > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> > Phone +39-0432-558216, fax +39-0432-558222 
> > 
>