[Wien] question about the option 6 of the optimization
sufyan
sufeer03 at gmail.com
Tue Mar 20 23:14:43 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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