Re: [QE-users] Need some suggestion regarding the band gap issue of Fe3O4

2021-11-15 Thread Dr. K. C. Bhamu
; ------ > *From:* users on behalf of Dr. > K. C. Bhamu > *Sent:* Monday, November 15, 2021 11:47:16 AM > *To:* Quantum Espresso users Forum > *Subject:* [QE-users] Need some suggestion regarding the band gap issue > of Fe3O4 > > Dear QE Users, >

Re: [QE-users] Need some suggestion regarding the band gap issue of Fe3O4

2021-11-15 Thread Giuseppe Mattioli
land +41 21 69 34 881 http://people.epfl.ch/265334 From: users on behalf of Dr. K. C. Bhamu Sent: Monday, November 15, 2021 11:47:16 AM To: Quantum Espresso users Forum Subject: [QE-users] Need some suggestion regarding the band gap issue of Fe3O4 Dear QE Users

Re: [QE-users] Need some suggestion regarding the band gap issue of Fe3O4

2021-11-15 Thread Iurii TIMROV via users
anne, Switzerland +41 21 69 34 881 http://people.epfl.ch/265334 From: users on behalf of Dr. K. C. Bhamu Sent: Monday, November 15, 2021 11:47:16 AM To: Quantum Espresso users Forum Subject: [QE-users] Need some suggestion regarding the band gap issue of Fe3O4 Dea

[QE-users] Need some suggestion regarding the band gap issue of Fe3O4

2021-11-15 Thread Dr. K. C. Bhamu
Dear QE Users, This email may be large for you all as I am trying to put all the information so that I do not miss any information in your response. I sincerely apologize for this long email. I am dealing with ferrimagnetic Fe3O4 (with QE6.6) and trying to reproduce its band gap. In the