[Wien] Mstar output result

[Gavin Abo]

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 <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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