Recipe for effective masses calculations
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Recipe for effective masses calculations
Hi,
I am trying to calculate effective masses. There isn't much information on how to do this. The best I could get is this:
http://cms.mpi.univie.ac.at/vasp-forum/ ... php?4.9369
but it does not address many of the details. Can someone please explain how to obtain the necessary information from VASP's output, or better still provide a script (or give enough details to be able to write my own script) to perform such calculation?
Regards,
H
I am trying to calculate effective masses. There isn't much information on how to do this. The best I could get is this:
http://cms.mpi.univie.ac.at/vasp-forum/ ... php?4.9369
but it does not address many of the details. Can someone please explain how to obtain the necessary information from VASP's output, or better still provide a script (or give enough details to be able to write my own script) to perform such calculation?
Regards,
H
Last edited by hat on Thu Jun 12, 2014 2:02 pm, edited 1 time in total.
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- Global Moderator
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- Joined: Mon Nov 18, 2019 11:00 am
Re: Recipe for effective masses calculations
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.
Best wishes,
VASP