how to calculate the optics using vasp5.2
Posted: Mon Nov 16, 2009 1:47 am
I have got the vasp5.2 package just now. Should i take a scf calculation then take a non-converge calculation by setting LOPTICS=true to perform the optics calculation?
If i do such a calculation, wihch parameters is very important for the optics? How can i control the output energy range of the dielectric ?
BTW, can i got the band-band transitions for the optics properties using vasp5.2?
If i do such a calculation, wihch parameters is very important for the optics? How can i control the output energy range of the dielectric ?
BTW, can i got the band-band transitions for the optics properties using vasp5.2?