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 <[email protected]> on behalf of Tomas Kana <[email protected]> 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/[email protected]/ 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 <[email protected]> en nombre de Ramazan KATIRCI <[email protected]> Enviado: lunes, 15 de marzo de 2021 12:51 p. m. Para: wien <[email protected]> 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" <[email protected]> To: "wien" <[email protected]> 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 _______________________________________________ Wien mailing list [email protected] [ http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien | http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ] SEARCH the MAILING-LIST at: [ http://www.mail-archive.com/[email protected]/index.html | http://www.mail-archive.com/[email protected]/index.html ] _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
