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SG15 pseudopotentials in psp8 converted from the upf files

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SG15-ONCV-psp8

This repository provides the SG15 Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials in the psp8 format obtained by converting the original SG15 pseudopotentials released in the upf format. The direct conversion from upf to psp8 maintains the additional modifications of the SG15 pseudopotentials done after their generation using the ONCVPSP code by D. R. Hamann.

The conversion is done using psp-converter script.

References

[1] M. Schlipf and F. Gygi, Computer Physics Communications 196, 36 (2015). http://dx.doi.org/10.1016/j.cpc.2015.05.011

[2] D. R. Hamann, Phys. Rev. B 88, 085117 (2013). http://link.aps.org/doi/10.1103/PhysRevB.88.085117

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SG15 pseudopotentials in psp8 converted from the upf files

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