[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.


Lorenzo Paulatto
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

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