[Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional
Paolo Giannozzi
paolo.giannozzi at uniud.it
Fri Jun 6 17:36:33 CEST 2014
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
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