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
