[QE-users] turbo_davidson, turbo_lanczos and scissor operator

[Timrov Iurii]

> Is it possible to use the scissor operator in a TDDFT calculation using turbo_davidson or turbo_lanczos?


Yes in turbo_lanczos: the keyword is "scissor" in the lr_control namelist. But I do not remember if it is in Ry or eV.


Cheers,

Iurii


--
Dr. Iurii Timrov
Postdoctoral Researcher
STI - IMX - THEOS and NCCR - MARVEL
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 Michal Krompiec <michal.krompiec at gmail.com>
Sent: Friday, June 5, 2020 2:23:26 PM
To: Quantum Espresso users Forum
Subject: [QE-users] turbo_davidson, turbo_lanczos and scissor operator

Hello,
Is it possible to use the scissor operator in a TDDFT calculation using turbo_davidson or turbo_lanczos?
Best regards,
Michal Krompiec
Merck Performance Materials Ltd.
Southampton, UK
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200605/17b2ad38/attachment.html>