[Pw_forum] Trying to Generate a Pseudo-Hydrogen Pseudopotential

[Paolo Giannozzi]

On Jun 3, 2012, at 23:36 , Lorenzo Paulatto wrote:
>
> does not allow you to have a non-integer nuclear charge.
> However the zed variable is indeed a real number, so maybe
> the functionality is there but it has never been tested, or not
> tested for 20 years.

less than 5: I think I used it to generate some H PPs with
bogus charge (3/4, 2/3, ...) for usage as saturators (the
only usage you can think of)

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222