[Pw_forum] Descriptions of FHI and UPF formats?
Lorenzo Paulatto
paulatto at sissa.it
Wed Nov 11 10:46:03 CET 2009
In data 11 novembre 2009 alle ore 02:17:23, Brad Malone
<brad.malone at gmail.com> ha scritto:
> Is
> http://quantum-espresso.org/wiki/index.php/Unified_pseudopotential_format
> up to date?
Yes, it is. There is a new UPF format which is quite different (the
description is currently sitting in my hard disk), but fhi2upf converts to
the one described on the web page.
> If so, any explanation for FHI then? It would be nice to not
> simply get an understanding of the format by looking at fhi2upf.f90,
> since I then might not be able to tell what assumptions result in it
> occasionally
> not working.
I see you point, but I don't know of any such description. You may be
luckier on the abinit web site, although a quick google search didn't find
anything for me.
regards
--
Lorenzo Paulatto
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