gw_model.F

[subrata]

Hi,
I just wonder what is the use of the gw_model.F file.

It is possible to do a similar model GW calculation as defined in the paper

https://www.sciencedirect.com/science/a ... 989290476P

using this subroutine?

Thanks
Subrata

[martin.schlipf]

This reference is mentioned in the code. I will inquire in which circumstances it can be reasonable to use this model. Please, keep in mind that this is a feature that has been in VASP for many, many years but is not documented or regularly tested. Usually, I would recommend not to use features that are not documented as they are not officially supported. If you are willing to put in the effort, you can try to see whether you can reproduce some of the old results.

[subrata]

Thanks. If you can provide me an INCAR file on how to use it, then I will check some results from references to see if those are consistent or not.

[martin.schlipf]

There are three INCAR tags MODEL_GW, MODEL_GW_EPS0, and MODEL_GW_ALPHA that you can use to adjust the behavior.