Did you read the UG 5.3 ? Am 16.12.2010 10:23, schrieb shiyaojun: > Dear users: > I execute optimization for lattice parameters for tetragonal. Firstly, I > choose the first choice [1] VARY VOLUME with CONSTANT RATIO A:B:C; and then > which option should I choose: > [2] VARY C/A RATIO with CONSTANT VOLUME or [5] VARY A and C (2D-case) > (tetragonal or hexagonal lattice), which is suitable? > > > -- > Ph.D. Candidate > Yaojun Shi > College of Materials Science and Engineering > Nanjing University of Science and Technology > Nanjing 210094, P. R. China > Tel/Fax: (+86 +25) 84315159 > Email: shiyaojun at 163.com <mailto:shiyaojun at 163.com> > > <mailto:shiyaojun at 163.com> > > > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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