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Need Momentum Matrix Element for Charge Transport Calculatio

Posted: Thu Nov 09, 2017 9:12 pm
by debmalya760
Hi Admin,
I want to have the momentum matrix elements written in a file from VASP. I think when we are calculating the frequency dependent dielectric matrix calculation with the keyword LOPTICS = .TRUE. we are calculating that matrix. Is there anyway we can save that matrix? Does the WAVEDER file in the formatted form (WAVEDERF) write the momentum matrix?

Best,
Debmalya Ray

Re: Need Momentum Matrix Element for Charge Transport Calculatio

Posted: Wed Sep 11, 2024 3:46 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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VASP