[QE-users] regarding day 4 max QE-2021: Hands-on session – Day-4 Advanced functionals Iurii Timrov (EPFL, Switzerland)

[Iurii TIMROV]

Dear Aniruddh Bahadur Yadav,


> What parameter in input file I have to change.


Try to follow the hands-on of day 4.


HTH


Iurii



--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Dr.A. B. Yadav SVEC via users <users at lists.quantum-espresso.org>
Sent: Friday, December 3, 2021 7:07:28 PM
To: users at lists.quantum-espresso.org
Subject: [QE-users] regarding day 4 max QE-2021: Hands-on session – Day-4 Advanced functionals Iurii Timrov (EPFL, Switzerland)

Dear sir,
I wanted to calculate the band gap of ZnO using DFT+U model listed in day 4. What parameter in input file I have to change. How we can plot band structure also. Please help.
Sincerely,

Dr. Aniruddh Bahadur Yadav

Velagapudi Ramakrishna Siddhartha Engineering College
(Autonomous) Kanuru , Vijayawada
Andhra Pradesh - 520007,INDIA
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