Dear Paolo,Goranka, and all QE users, I want to generate nonrelativistic and relativistic USPP/NCPP with/without spin-orbit interaction for rare eaths. It seems, after reading the "espresso-4.1.2/atomic_doc" that pp for rare-earths can be generated. By the way http://www.quantum-espresso.org/user_guide/node56.html, question-11.3.0.2, tells about code "atomic". where can i find it? is it "ld1.x" or different?
Thanks for your kind help !! With Kind Regards Sonu Kumar Phd Student Physics Department Indian Institute of Technology Delhi-110016, India web:-http://www.iitd.ac.in/ > > Can anybody tell/give me PP generation files/links etc., to generate > > "PP" for rare earth elements using *ld1.x* ? > > http://www.quantum-espresso.org/pseudo.php doesn't contain pp for rare > > earths. > > there is a good reason for this: > http://www.quantum-espresso.org/user_guide/node56.html > > > >However, last year there was a message about PAW for rare earths (without >details): >http://www.democritos.it/pipermail/pw_forum/2009-May/012897.html<http://www.democritos.it/pipermail/pw_forum/2009-May/012897.html> -- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100527/52f7e12d/attachment.htm
