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README.md Rename Psps_for_tests to Pspdir in all *.py and *.cmake files. 2024-11-20 18:10:32 +01:00

README.md

Information about the pseudopotentials in this directory

These pseudopotentials have the same characteristics:

  • Same pseudopotential generator (Troullier-Martins, generated by A. Khein and D.C. Allan)

  • Same pseudopotential format (pspcod 1)

  • Same exchange-correlation functional (pspxc 1 , Perdew-Wang parameterized by Teter)

They have been downloaded from the page https://www.abinit.org/sites/default/files/PrevAtomicData/psp-links/lda_tm.html on 21 July 2020.