[Pw_forum] ld1.x problem -II

[Paolo Giannozzi]

On Jan 26, 2008, at 23:11 , Lazaro Calderin wrote:

>         pseudotype=2,
> [...]
> 6S  1  0  2.00  0.00  1.8564  1.8564
> 6P  2  1  3.00  0.00  2.4441  2.4441

pseudotype=2 means "more than one channel per
angular momentum". Since you have one, you should
set pseudotype=1 instead. Anyway, it should work
also with pseudotype=2 . In fact, it works for me ...
for both the 3.2.3 and the cvs version

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