Input file parameter settings

[Nacy Cui]

Dear EPW developer and user,
Hello, I'm a beginner of EPW software and I want to find out how to determines these parameter values, for example nbndsub, bands_ skipped and dis_ froz_min/max and parameters in the attached picture? I'm looking forward to your reply.
Best wishes,
Nacy Cui

[hpaudya1]

Hi Nacy,

First, welcome to the EPW community.
Second, it would be helpful if you read the descriptions of input flags on the EPW website https://docs.epw-code.org/doc/Inputs.html

If you have any further specific questions, please let us know.

Happy EPWing,
Hari

[Nacy Cui]

Hi Hari,
I'm glad to receive your reply and I have look up the descriptions of input parameters on the EPW website, for example, the description of nbndsub is number of wannier functions to utilize and default value equal to 0. But there is no example in School part in https://docs.epw-code.org/doc/Schools.html adopt the value of nbndsub equal zero, so I’m a little confused and wonder if you would explain how to determine the value?
Best regards,
Nacy Cui

[hlee]

Dear Nacy Cui:

All of the input parameters you mentioned are related to Wannierization and you have to check the documents in the Wannier90 site (http://www.wannier.org/support/).

For example, nbndsub is the same as num_wann in Wannier90 (even though nbndsub is 0 in default in EPW, it should be greater than 0) and bands_skipped is related to exclude_bands in Wannier90.

I would suggest you to learn the basics of Wannierization by checking the tutorials and the user guides in the Wannier90 site before running EPW.

Sincerely,

H. Lee

[Nacy Cui]

Thank you for your advice