[Pw_forum] error: On entry to DGEMM parameter number 13 had an illegal value in 'vc-cp' run

[Paolo Giannozzi]

On Oct 30, 2012, at 4:05 , Bramha Pandey wrote:

> the error which i was obtaining was just due to change in code
> (set_hubbard_l=1, for 'Ga' and 'As' instead of 2)

I don't think so. You have 3 species (In,Ga,As) but no In atoms.
The code doesn't expect 0 atoms of any species, but it doesn't
make a check

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