[Pw_forum] about Pseudopotential generation

Lorenzo Paulatto paulatto at sissa.it
Wed Jun 3 10:48:33 CEST 2009


In data 01 giugno 2009 alle ore 22:08:19, Bipul Rakshit  
<bipulrr at gmail.com> ha scritto:
> So can I generate nice PP (ultra-soft) from the script ld1.x, so that
> I can calculate the electronic and phonon properties?

It is a bit more than a script, and yes it can generate norm-conserving,  
ultrasoft and PAW datasets. Please see the documentation in atomic_doc/  
directory, and the examples in various subdirectories you'll find there.

> 2. There is another programme named uspp-xxx which i got from the
> pwscf site only. Is that script is same as the above one, or better
> one?

Probably it's some very old version.

> regards

regards


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Lorenzo Paulatto
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