abinit/tests/Psps_for_tests/Pseudodojo_paw_pw_stringent
gonze 0dc08ee962 Transfer hpc.paw.xml PAW datafiles to Pseudodojo_paw_pw_stringent; document ; start to clean 2020-07-22 16:21:39 +02:00
..
Ba.xml
O.xml
README.md
Ti.xml

README.md

Information about the pseudopotentials in this directory

These JTH v1.0 pseudopotentials have the same characteristics:

  • Same pseudopotential generator (Atompaw 4.0.0.12)

  • Same pseudopotential format (XML for PAW)

  • Same exchange-correlation functional (pspxc 7 , Perdew-Wang 1992)

  • Stringent accuracy

They have been downloaded on July 21, 2020 from the page http://www.pseudo-dojo.org/, with the settings PAW (JTH v1.0), LDA, stringent, xml