Recipe for effective masses calculations
Posted: Thu Jun 12, 2014 2:02 pm
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