Hello,
I am currently working with pseudopotentials for the PBE exchange-correlation potential and from the "van_ak" ultra soft type. I found the following on the official QE website: Au.pbe-van_ak.UPF Li.pbe-s-van_ak.UPF B.pbe-n-van_ak.UPF C.pbe-van_ak.UPF N.pbe-van_ak.UPF Na.pbe-n-van_ak.UPF P.pbe-van_ak.UPF Ti.pbe-sp-van_ak.UPF Cu.pbe-n-van_ak.UPF H.pbe-van_ak.UPF O.pbe-van_ak.UPF Fe.pbe-sp-van_ak.UPF 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". I could unfortunately not find them on the QE website. Does someone know where I can find them or generate them? Best regards, Dr. Huu Chuong Nguyën (Bob) Postdoc Researcher - Group of Prof. Núria López Institute of Chemical Research of Catalonia (ICIQ) The Barcelona Institute of Science and Technology Av. Països Catalans 16 - 43007 Tarragona (Spain) PB-11 Huu Chuong Nguyën - PERSONAL [email protected]<mailto:[email protected]> - www.iciq.es<http://www.iciq.es/> _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
