Dear Siesta users,
I'm trying to perform a spin-polarized calculation for the oxygen
molecule but, just before the first CG step, I've got the error:
" Error in Cholesky factorisation in cdiag "
I've performed the calculation using " DivideAndConquer F " but it
didn't helped and the same error was still there.
I've also tried " Diag.NoExpert T " but it didn't worked as well....
Anyone has a suggestion?
Thanks in advance!
Zeila
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Dr. Zeila Zanolli
Université Catholique de Louvain (UCL)
Unité Physico-Chimie et de Physique des Matériaux (PCPM)
Place Croix du Sud, 1 (Boltzmann)
B-1348 Louvain-la-Neuve, Belgium
Phone: +32 (0)10 47 2617
Mobile: +32 (0)487 556699
Fax: +32 (0)10 47 3452
e-mail: [EMAIL PROTECTED]
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