[Pw_forum] from cdiaghg : error # 2012 diagonalization (ZHEGV*) failed

[Paolo Giannozzi]

On Dec 14, 2011, at 14:57 , pmoreira at ifi.unicamp.br wrote:

>       from  : error #      2012
>      diagonalization (ZHEGV*) failed

> I did some tests suggested on user manual (cdiaghg error),
> but I cannot figure out where my problem is

first of all: is the error reproducible on different machines and
under different conditions? the first thing to understand is whether
this error actually reflects a problem in the hamiltonian or in the
overlap matrix

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