Hi,
I am trying to calculate frequency dependent dielectric constant. I first ran for SCF calculation and then ran for non SCF calculation using ICHAG = 11 and ISTART = 2. Then I generated OPTIC file using LOPTICS = REAL and NPAR = 1. I also have codes "Optics.f" of prof. Furthmuller. Now how can I get OPTCTR file? and also do I need OPTCTR file ?
Thank you for help.
hpaudel
how to get frequency dependent dilectric constant
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hpaudel
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how to get frequency dependent dilectric constant
Last edited by hpaudel on Wed Aug 04, 2010 11:12 pm, edited 1 time in total.
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admin
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how to get frequency dependent dilectric constant
please use vasp.5.2 for that purpose, have a look at the manual chapter Optical properties and density functional perturbation theory (PT) for further instruction
Last edited by admin on Thu Aug 26, 2010 2:43 pm, edited 1 time in total.