[Wien] [SPAM?] Re: about effective mass

[Rubel, Oleg]

There is an alternative -- mstar code (https://github.com/rubel75/mstar) that work with WIEN2k. It outputs minv_d.dat - density of states inverse effective mass m0/m*_d = m0/(m_1 *m_2 *m_3)**(1/3)
Is this what you are looking for?

It will work if you want to get the DOS effective mass at the very top of a band parabola. However, if a material is heavily doped and the Fermi energy is far from band edges, it will not help.

Best regards
Oleg

________________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Tomas Kana  <kana at seznam.cz>
Sent: Monday, March 15, 2021 16:51
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] about effective mass

In addition,
I suppose this link on ResearchGate:
https://www.researchgate.net/post/How-can-i-calculate-the-effective-mass-of-electron-and-hole-for-perovskite-materials-from-Wien2k-calculations-DFT
Tomas
wien2k mailing list
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/

In there you can ask for 'effective mass'
https://www.mail-archive.com/search?q=effective+mass&l=wien%40zeus.theochem.tuwien.ac.at
I suppose that this will give you some ideas.
________________________________
De: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Ramazan KATIRCI <ramazankatirci at sivas.edu.tr>
Enviado: lunes, 15 de marzo de 2021 12:51 p. m.
Para: wien <wien at zeus.theochem.tuwien.ac.at>
Asunto: Re: [Wien] [SPAM?] Re: about effective mass

sorry, I can not reach the older e-mails. I have a link of http://zeus.theochem.tuwien.ac.at/pipermail/wien/ to reach the older e-mails. But there is not a tool to search the topic

----- Original Message -----
From: "delamora" <delamora at unam.mx>
To: "wien" <Wien at zeus.theochem.tuwien.ac.at>
Sent: Monday, March 15, 2021 9:38:09 PM
Subject: [Wien] [SPAM?] Re: about effective mass

You could search in the mailing list...


Hello,

I want to find the effective mass for densitiy of state using wien2k code. I searched some information on the internet and found some knowledge. it says the spaghetti file should be used for the plot of E-k diagram. I examined the ".spaghetti_ene" file. I tried to plot E-k diagram, but I couldn't make sure which data should be used.
Could you please let me know which file and which data in the file should be used to calculate effective mass for density of state.

Best regards
Ramazan Katırcı
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