[Wien] another criteria for the option 6 of the optimization

sufyan sufeer03 at gmail.com
Mon Mar 19 11:19:39 CET 2012


Dear P.Blaha and Wien2k Users,
My case is orthorhombic and I used  the option 6 of the  optimization in
which the A,B and C vary (3D-case) ,after the termination of the
calculations i should  choise only the valeus of A,B and C that give the
minimal energy  , my question does it sufficient or i should do also
another criteria  like the options 3 and/or 4?
thanks
sufyan naji
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