dielectric tensor problem
Posted: Fri Nov 19, 2010 7:14 am
Dear all,
I calculated the dielectric matrix using VASP 5.2. I executed the program using LEPSILON= .T. and LOPTICS= .F. to get the exact values of dielectric constants. Next I set LEPSILON= .F. and LOPTICS= .T. to determine NBANDS. As a result, with the increase of NBANDS, the zero frequency values tend to invariance, but still less than the static dielectric constants by 7%. Is it correct?
Thanks.
I calculated the dielectric matrix using VASP 5.2. I executed the program using LEPSILON= .T. and LOPTICS= .F. to get the exact values of dielectric constants. Next I set LEPSILON= .F. and LOPTICS= .T. to determine NBANDS. As a result, with the increase of NBANDS, the zero frequency values tend to invariance, but still less than the static dielectric constants by 7%. Is it correct?
Thanks.