Yes, you can add a link to the document on the wiki page.
Best Regards,
Gavin
WIEN2k user
On 1/25/2026 9:09 PM, Rubel, Oleg wrote:
Dear Gavin,
Thank you very much for the tutorial and for explaining all steps so clearly.
If the document location is permanent, I can add a link to it on the MSTAR wiki
(https://github.com/rubel75/mstar/wiki).
Best regards,
Oleg
-----Original Message-----
From: Wien <[email protected]> On Behalf Of
Gavin Abo
Sent: Saturday, January 24, 2026 4:08 AM
To: [email protected]
Subject: Re: [Wien] Mstar output result
Caution: External email.
How to know which k points mean which high symmetry point?
For this question, page 6 might be helpful to you in the document at the
following link that has a screenshot identifying the Gamma point for GaAs by
looking at the xmgrace band structure plot:
https://github.com/gsabo/WIEN2k-
Docs/blob/main/WIEN2k_mstar_GaAs_tutorial.docx
Best Regards,
Gavin
WIEN2k user
On 1/23/2026 7:49 PM, uchit chaudhary wrote:
Dear Dr. Rubel,
I computed the effective mass of GaAs, but I did not get the result as
mentioned in the article. Moreover, I did calculation in two ways 1. Just with x
lapw1 and x lapwso 2. By generating kpath L-Gamma-X for 100 points (x
lapw1 -band and x lapso). I found the results are different. What is the
difference between the two calculations? Are they the same? Do they affect
effective mass?
I may not understand or read the output results correctly. So please
explain about the output to read. In the article it is written that 13 k points
mean gamma point. How to know which k points mean which high symmetry
point? In the case of an indirect band gap, VBM is at Gamma and CBM is at X.
How to search for results in the output file in such a case? Please explain in
detail about extracting data from output files.
Thank you for your time.
Best regards,
Uchit
Wien2k user
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