On 21/08/17 16:54, Huu Chuong Nguyën wrote: > For consistency, I need this kind of ultra-soft pseudopotential also for > other elements such as Zn, Sn, Co, Ni, ... they should have their name like > "Zn.pbe-sp-van_ak.UPF" or maybe "Zn.pbe-van_ak.UPF". > The "AK" acronym means that those files where designed by Axel Kohlmeyer, you do not need to have all the pseudopotentials from the same author. Just take any PBE ultrasoft pseudopotentials; you maye have a look at this page: http://materialscloud.org/sssp/ where some "best choice"¹ PBE pseudopotential is listed for each element.
regards 1) according to some criteria -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 phone: +33 (0)1 442 79822 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
