The ABINIT Users Mailing List ( CLOSED )

[Valentina Giordano <giordano@lens.unifi.it>]

I'm new in using ABINIT and I'm testing it on a molecular system. I'm looking 
for the geometry optimmization, as in Tutorial lesson 2, but I've always got 
these warnings:
scfcge: WARNING -
  Potential-based CG line minimization has trouble to converge.
  The algorithm is restarted with more secure parameters.
and
timana : WARNING -
  Timing section #   1, name :  abinit
  CPU=    3.698590E+03, Wall=   -7.730941E+12, ncount=   
I'm not worrying about the first one because finally Etot converges, but I 
don't know if I'm missing something important. For the second one, there's a 
series of timana for different routines, and I don't know their meaning.
Thanks
Valentina
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Valentina Giordano
PhD student
giordano@lens.unifi.it
valentina.giordano@pmc.jussieu.fr

LENS (European Laboratory of Non-linear Spectroscopy)
Polo Scientifico - Via N. Carrara 1 
50019 - Sesto Fiorentino (FI) - Italy
http://lens.unifi.it

Physique des Milieux Condensés - Université P. et M. Curie - B 77
140 rue de Lourmel
75015 Paris - France
Tel: 33-(0)1 44 27 9450 - Fax: 33-(0)1 44 27 44 69
http://www.pmc.jussieu.fr