P.Canepa wrote: > Dear all, > > on the web-page of Quantum Espresso is claimed that PWscf can use projector > augmented pseudo-potentials (PAW). Is there any label which marks those at > the http://www.quantum-espresso.org/pseudo.php . For instance if I look at > one common elements like O I cannot find any PAW pseudopotentials. > I don't think you can find any PAW pseudo potentials in QE website, because they are in testing. You can create by yourself a PAW PP, see example in atomic_doc/paw_library/input and check if it work or not. See in previous archivers of Pw_forum to find an example for Ti also.
Hope this help. Linh > Thanks, Piero > > > -- ----------------------------------------------------- Nguyen Ngoc Linh, PhD Student c/o: SISSA, via Beirut 2-4, 34014 Trieste (Italy) email: nnlinh at sissa.it phone: +39 04 03787 319 skype: ngoclinh84phys ----------------------------------------------------- "The physics is theoretical but the fun is real"
