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