Hello, as for the NCPP there are numerous PP for different elements, for instance, I often use the ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential) by D. R. Hamann (Phys. Rev. B 88, 085117 (2013)) which can be found on http://quantum-simulation.org/potentials/sg15_oncv/.
Best, Simon Am Dienstag, April 11, 2023 14:39 CEST, schrieb PURINUT SAE-FU <purinut....@student.mahidol.ac.th>: > Hello > > I'm trying to calculate the dielectric functions of the materials. By > searching on the internet, the dielectric functions can be calculated by > using the epsilon.x code in the QE package. However, I found that there is a > limitation that requires only norm-conserving pseudopotential (NCPP). I look > into the pseudopotential library on these 2 websites, > > 1) http://pseudopotentials.quantum-espresso.org/legacy_tables > > 2) https://www.materialscloud.org/discover/sssp/table/efficiency > > but I cannot find the NCPP files. I would like to ask 1) Where can I get the > NCPP files? 2) Is there a way to calculate the dielectric function of the > material that applied PAW pseudopotential? > > Best regards, > > PURINUT SAE-FU > Ph.D. Student > Department of Physics, Faculty of Science, Mahidol University, Thailand > _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
