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SCF optimization and density file name


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  • From: guillaume.herlem@univ-fcomte.fr
  • To: forum@abinit.org
  • Subject: SCF optimization and density file name
  • Date: Fri, 4 Jul 2003 18:08:14 +0200

Hello AbiniTioners,
after SCF cell optimization in dataset1 I would like, in dataset2, to use the
density file. But I used ionmov=3 and as indicated in the doc, TIM is added
in the density file name so the job stops ...Is there the possiblity anyway
to resolve this problem? and how?
thanks in advance

Guillaume HERLEM
Université of Franche-Comté
Laboratoire de Chimie des Matériaux & Interfaces
UFR Sciences & Techniques
16 route de Gray - La Bouloie
25 030 BESANCON Cedex - FRANCE
tél/fax: 03 81 66 62 94 (bureau)
tél : 03 81 66 66 18 (salle AFM/STM)


  • SCF optimization and density file name, guillaume . herlem, 07/04/2003

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