[Wien] Mstar output result

[Rubel, Oleg]

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 <wien-bounces at zeus.theochem.tuwien.ac.at> On Behalf Of
> Gavin Abo
> Sent: Saturday, January 24, 2026 4:08 AM
> To: wien at zeus.theochem.tuwien.ac.at
> 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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