[QE-users] VASP POTCAR into Quantum Espresso formats
Ilias Miroslav, doc. RNDr., PhD.
miroslav.ilias at umb.sk
Mon Aug 17 21:48:45 CEST 2020
Hello,
there is nice the work of Trombach et al., https://doi.org/10.1039/C9CP02455G .
Authors constructed D3 enhanced PAW potentials for some superheavy elements, but only in VASP POTCAR format (see them in http://www.rsc.org/suppdata/c9/cp/c9cp02455g/c9cp02455g3.zip , also http://www.rsc.org/suppdata/c9/cp/c9cp02455g/c9cp02455g2.pdf) . These 8 potentials are free to use.
Is there a viable way to convert these POTCAR files into format suitable for Quantum Espresso ?
Best, Miro
PS: I asked similar question on Abinit forum, https://forum.abinit.org/viewtopic.php?t=4469 .
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