optical calculation in VASP 5
Posted: Tue Jan 11, 2011 5:49 am
Dear VASP users:
I'm using LOPTICS=.TURE. in VASP 5 to calculate the frequency dependent dielectric function and concequently obtain a table of dielectric function in OUTCAR.
Here is the problem. The number of output rows seem to be fixed. As I increase the number of empty bansd by increase NBANDS, the energy interval of output data increases as well. The energy interval is too large to reach the accuracy requirement in my analysis.
I wonder if there is any keyword which can increase the number of rows of the output table.
Thanks!
Hsin
<span class='smallblacktext'>[ Edited ]</span>
I'm using LOPTICS=.TURE. in VASP 5 to calculate the frequency dependent dielectric function and concequently obtain a table of dielectric function in OUTCAR.
Here is the problem. The number of output rows seem to be fixed. As I increase the number of empty bansd by increase NBANDS, the energy interval of output data increases as well. The energy interval is too large to reach the accuracy requirement in my analysis.
I wonder if there is any keyword which can increase the number of rows of the output table.
Thanks!
Hsin
<span class='smallblacktext'>[ Edited ]</span>