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
onhttp://quantum-simulation.org/potentials/sg15_oncv/.
Just a little precision: there is a confusion between ONCV and SG15. The
pseudopotentials you linked are the SG15 library (M. Schlipf and F.
Gygi, Computer Physics Communications 196, 36 (2015)), they have been
generated using the ONCV code by Hamann ( D. R. Hamann, Phys. Rev. B 88,
085117 (2013)). Another library that uses the same code is the
Pseudo-DOJO one.
Also, as we are in topic, there is a vast collection of norm-conserving
pseudoopotentials in the pslibrary of Andrea Dal Corso, and you can find
"old" norm-conserving library such as the FHI and BHS ones by exploring
the website.
hth
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
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