[Pw_forum] H 0.75 pseudopotential

Marcello Rosini marcello.rosini at unimore.it
Mon Jun 18 10:30:50 CEST 2007


Good morning everybody
For my calculation I need a pseudopotential for H, of charge 0.75. Since
I wasn't able to find it anywhere, I tried to generate by myself, using
the ld1.x program. It seems to me that ld1 cannot work with charge <1...
when running it says "wrong zed"...
so I have two questions:
    1. is this a limitation of ld1 or someone can give me some help?
    2. Does anybody can indicate me such a pseudopotential?

tanks a lot
Marcello
-- 
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*Dr. ROSINI MARCELLO*
rosini.marcello at unimo.it <mailto:rosini.marcello at unimo.it>
---------------------------------------------------
dipartimento di fisica <http://www.fisica.unimo.it>
Università degli studi di Modena e Reggio Emilia

via campi 213/a, 41100 Modena, Italy
tel +39 059 2055312  -  fax +39 059 2055616
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