[Wien] Re :

[Mouna Mesbahi]

hello;
Please I have a system in which I have a nickel atom (transition material) in the optimization stage I afffiche error in lapw1 (can not open unit 18) how to solve this problem please
thank you in advance
cordially mouna



________________________________
De : Mouna Mesbahi <mouna.mesbahi at yahoo.fr>
À : "wien at zeus.theochem.tuwien.ac.at" <wien at zeus.theochem.tuwien.ac.at> 
Envoyé le : Vendredi 20 janvier 2012 13h36
Objet : 


I have already tried the dituted semicondictors please i want to ask you if it is obliged to pass by the generation of supercelle to add the impurity
thank you in advance
cordially mouna Mesbahi
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