ABINIT Discussion Forums

Dear ALL Is there anyone used the "bs_calctype=2" in Bethe-Salpeter Calculation? The tag "bs_calctype=2" ,as expressed in tutorials, is used to take the advantage of GW corrected energies+ KSS eigenfunctions. But I come up with the message: "File __in.gw__ is not found"...

Hi all, It seems that I made some mistake in my previous calculation. When running BSE with bs_calctype=2, the QP energies are obtained from a __in.gw__ file and the k-points in BSE and GW calculation must be consistent, otherwise the QP energies can not be used correctly. Concernig the bs_calctype...

Hi How one can restart the BSE calculation with two input variables irdbsreso and(or) getbsreso? Do I need to have optdriver also in dataset? More likely yes, so why the process starts over from, from calculation of BSR file again? What is wrong with this input for the dataset? Thanks in advance Che...

Hi,

Concerning the BSE calculation, is it possible to restart the BSE calculation with BSR file from previous run and change the soenergy?
I have already done some calculations and I have the BSR file, But now I need to change the soenergy.

regards,
monazam