How to calculate optical properties with GW
Posted: Mon Mar 26, 2012 1:51 pm
As the DFT adopts the LDA or GGA method, the calculating result of gap is always needed to mended. So, we begin to consider the excited states, such as GW and BSE.
Recently, I follow the tutorial on how to calcuate with GW. For I am interested in calculating the optical properties, I decide to apply the GW method into the optic utility. However, I cannot make it! So, I turn to your help. I cannot figure it out which file produced by GW method is needed to used to calculate the optical propeties. And the detailed methods!
Thanks a lot for your time!
Best Wishes!
Amos
Recently, I follow the tutorial on how to calcuate with GW. For I am interested in calculating the optical properties, I decide to apply the GW method into the optic utility. However, I cannot make it! So, I turn to your help. I cannot figure it out which file produced by GW method is needed to used to calculate the optical propeties. And the detailed methods!
Thanks a lot for your time!
Best Wishes!
Amos