[Wien] How to calculate Optical properties with hf potential

Tran, Fabien fabien.tran at tuwien.ac.at
Mon Nov 4 08:16:54 CET 2019


Yes, "-hf" with lapw2, but not for kram.



________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Peeyush kumar kamlesh <peeyush.physik.rku at gmail.com>
Sent: Monday, November 4, 2019 1:56 AM
To: wien-request at zeus.theochem.tuwien.ac.at; wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] How to calculate Optical properties with hf potential

Sir,
Greetings!
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18935.html

In the above link you have mentioned that to calculate optical properties using hf we run with optic, joint, and kram by using "-hf" with optic and joint.


I want to ask that is there any need to run "x lapw2 - fermi" with "-hf"?
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