> 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 <[email protected]> on behalf of Michal Krompiec <[email protected]> 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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
