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How to improve the graph of lambda.cube, what parameters are modified?

Posted: Mon Mar 07, 2022 11:56 am
by dsc
Dear EPW experts,
This is my calculation of lambda_1.cube, how to change the parameters to make it look normal? And how do I get the second diagram? Conversion from the first Brillouin zone to the original Brillouin zone.
The k, q grid as follows:
nk1 = 12
nk2 = 12
nk3 = 1

nq1 = 12
nq2 = 12
nq3 = 1

nkf1 = 240
nkf2 = 240
nkf3 = 1

nqf1 = 120
nqf2 = 120
nqf3 = 1

Thank you!
DSC

Re: How to improve the graph of lambda.cube, what parameters are modified?

Posted: Mon Mar 07, 2022 3:56 pm
by hlee
Dear DSC:

You need to perform the postprocessing or use the external tool(s) to plot this quantity on the fist Brillouin zone (the bottom figure in your post). Even for the latter, you need some postprocessing.

Sincerely,

H. Lee