[Pw_forum] converting pseudopotential
Lorenzo Paulatto
paulatto at sissa.it
Wed Jan 28 13:54:21 CET 2009
On Wed, 28 Jan 2009 13:33:06 +0100, mohaddeseh abbasnejad <m.abbasnejad at gmail.com> wrote:
> I have found that there is a utility in PWscf
> [...]
> But I couldn't find it.
Well, have you found it or not? ;-)
In either case it is in upftools/; just eneter the directory and type "make all".
> Would you please tell me how I can use it?
One you have compiled it you can run it from upftools/ like ./casino2upf.x it'll ask you to provide the name of casino file (for input) and of the UPF file (for output).
cheers
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Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
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