Hi, Please use this one N.pbe-n-kjpaw_psl.0.1.UPF <https://www.quantum-espresso.org/upf_files/N.pbe-n-kjpaw_psl.0.1.UPF>
Please check the functional type and full relativistic or core collection + relativistic correction. The are pz, pbe and pbesol functionals. With Regards, Subrata Jana *--------------------------------------------------------------------------------------------------------------* *SUBRATA JANA* *Research Scholar* *School of Physical SciencesNational Institute of Science Education and Research (NISER), **Bhubaneswar* *PO- Bhimpur-Padanpur, Via- Jatni, District:- Khurda* *PIN – 752050, Odisha, INDIA* On Fri, Jun 15, 2018 at 11:30 PM, Franck Ngassamnyakam < [email protected]> wrote: > Hi, > > I am a new user of Quantum Espresso user. I would like to remake > calculations already performed with VASP using the speudoptential PAW_PBE > and I am confused with the different speudopentiel on the site > https://www.quantum-espresso.org/pseudopotentials. for example for > nitrogen N I have two types "N.rel-pbe-n-kjpaw_psl.0.1.UPF" and > "N.pbe-n-kjpaw_psl.0.1.UPF" same for Mn, F, C, H, Cu, Co, that i want to > use. > > please which should I choose which would be equivalent to PAW_PBE in VASP?. > > thank you in advance > > Franck O. > > > > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users >
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