[Pw_forum] drho and D3 calculations

[Jonathan Breeze]

Thanks Paolo,

I'll keep at it and won't give up (just yet).


> Hi
>
> > I checked the D3 code (which came with latest release of PWscf 1.2.0 ).
> > It seems that from the routine d3_readin.f90 takes a filpun card instead
of
> > a prefix card.
> > I get a different error if I use prefix like pw.x and ph : error # 4324
> > reading inputph namelist.
>
> I am afraid that the new version of the 3rd-order code was never
> really tested. The preceding version (1.1.2) is tested and it works
> (AFAIK). You can still downoload it from the pwscf web site.
> There is a test that you can download from:
>    http://www.nest.sns.it/~giannozz/d3_test.tgz
> Don't ask me more, this is all I know!
>
> Paolo
> --
> Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
> Scuola Normale Superiore    Phone:   +39/050509412
> Piazza dei Cavalieri 7      Fax:     +39/050509417, 050563513
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>
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