optical properties calculation
Posted: Tue Nov 02, 2010 1:49 am
Dear all,
Is it necessary to increase NBANDS in selfconsistent calculation before optical properties calculation, since NBANDS should be doubled with respect to VASP default value in optical properties calculation according to the VASP Guide?
Is it necessary to increase k-points in selfconsistent and non-selfconsistent calculation in optical properties calculation?
Thanks.
Is it necessary to increase NBANDS in selfconsistent calculation before optical properties calculation, since NBANDS should be doubled with respect to VASP default value in optical properties calculation according to the VASP Guide?
Is it necessary to increase k-points in selfconsistent and non-selfconsistent calculation in optical properties calculation?
Thanks.