calculations with constrained symmetry
Posted: Mon May 26, 2008 8:20 pm
Dear all,
By using ISYM tag it is possible to switch on/off symmetry for relaxations. but I wonder if it is possible to constrain some of the symmetries but relaxing the others. (Such as imposing a symmetry by giving space group which is different than the group detected by VASP automatically or in an other way?)
Thank you in advance...
By using ISYM tag it is possible to switch on/off symmetry for relaxations. but I wonder if it is possible to constrain some of the symmetries but relaxing the others. (Such as imposing a symmetry by giving space group which is different than the group detected by VASP automatically or in an other way?)
Thank you in advance...