[Wien] [SPAM?] Re: about effective mass
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 on behalf of Tomas Kana 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=wien%40zeus.theochem.tuwien.ac.at I suppose that this will give you some ideas. De: Wien en nombre de Ramazan KATIRCI Enviado: lunes, 15 de marzo de 2021 12:51 p. m. Para: wien 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" To: "wien" 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 Wien@zeus.theochem.tuwien.ac.at [ 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/wien@zeus.theochem.tuwien.ac.at/index.html | http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ] ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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/ (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=wien%40zeus.theochem. tuwien.ac.at (https://www.mail-archive.com/search?q=effective+mass=wien%40zeus.theochem.tuwien.ac.at) I suppose that this will give you some ideas. De: Wien en nombre de Ramazan KATIRCI Enviado: lunes, 15 de marzo de 2021 12:51 p. m. Para: wien 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/ (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" To: "wien" 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 Wien@zeus.theochem.tuwien.ac.at [ http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien (http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien) | 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/wien@zeus. theochem.tuwien.ac.at/index.html (http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html) | http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html (http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html) ] ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at 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/wien@zeus.theochem. tuwien.ac.at/index.html (http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html) ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at 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/wien@zeus.theochem. tuwien.ac.at/index.html (http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html) ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem. tuwien.ac.at/index.html "___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] about effective mass
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=wien%40zeus.theochem.tuwien.ac.at I suppose that this will give you some ideas. De: Wien en nombre de Ramazan KATIRCI Enviado: lunes, 15 de marzo de 2021 12:51 p. m. Para: wien 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" To: "wien" 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 Wien@zeus.theochem.tuwien.ac.at [ 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/wien@zeus.theochem.tuwien.ac.at/index.html | http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ] ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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" To: "wien" 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 Wien@zeus.theochem.tuwien.ac.at [ 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/wien@zeus.theochem.tuwien.ac.at/index.html | http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ] ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] [EXTERNAL] about effective mass
You may want to look into the output file (case.outputt) from x tetra. The Sommerfeld coefficient is listed at the end of the file. Thanks, Jianxin # Jian-Xin Zhu, Ph.D Theoretical Division, MS B262 Los Alamos National Laboratory Los Alamos, New Mexico 87545 Phone: (505) 667 2363 (T-4); (505) 667 6602 (CINT) Email: jxzhu.at.lanl.gov URL: http://cint.lanl.gov ## On 3/15/21, 2:42 AM, "Wien on behalf of Ramazan KATIRCI" wrote: 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 Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[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 Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] about effective mass
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 Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
