[Wien] optimization

hazem salem salemhadihazem at yahoo.com
Mon Jan 26 16:12:42 CET 2009


Dear all,
            I have a question about optimizing the lattice constant. If the system is magnetic is it necessary to use spin-polarized calculations for optimizing the lattice constat, or one can do this with a non-spin polarized calculations then use the optimum lattice constant to perform spin-polarized calculations?

Thanks in advance
Hazem


      
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