Dear QE users and experts, I want to know about the generation of nonlinear core-correction with fully relativistic Pseudopotentials (PPs) for rare-earth elements (i.e. Lanthanide series) which will help me to include spin-orbit interaction in my calculation. I have followed one thesis regarding the Relativistic Energy-consistent PPs for f-Elements. I have not found the PPs in QE webpage to find the spin-orbit coupling effect in such elements. Still, I am wondering whether it will be possible to generate the PPs using atomic code.
I am looking forward for necessary suggestions which will be highly appreciated. Thanking in advance. Regards Sushant Kumar Behera INSPIRE Fellow Advanced Functional Material Laboratory Deaprtment of Physics Tezpur University Tezpur, India 784028 email: [email protected] Phone: +91-3712-275578 (Lab) Cell: +91-8473848729 (Mob) http://www.tezu.ernet.in/dphy/afml/index.php ___________________ D I S C L A I M E R This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail in error and destroy it from your system. Though considerable effort has been made to deliver error free e-mail messages but it can not be guaranteed to be secure or error-free as information could be intercepted, corrupted, lost, destroyed, delayed, or may contain viruses. The recipient must verify the integrity of this e-mail message. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
