[Pw_forum] drho and D3 calculations

[Paolo Giannozzi]

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
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