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potentials
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Pseudopotentials used by MGmol are not fundamentally different than other norm conserving pseudopotentials. They are just in a different format. Pseudopotentials in this subdirectory have typically been adapted from pseudopotentials generated for other Plane Waves codes. Pseudopotentials with names containing "ONCV" refer to Optimized norm-conserving Vanderbilt pseudopotentials as described in: D. R. Hamann, Phys. Rev. B 88, 085117 (2013) https://doi.org/10.1103/PhysRevB.88.085117 Pseudopotentials with names containing "SG15" have been adapted from the Qbox code (http://www.quantum-simulation.org). Their generation id described in the following paper: M. Schlipf and F. Gygi, Computer Physics Communications (2015) DOI: 10.1016/j.cpc.2015.05.011 http://dx.doi.org/10.1016/j.cpc.2015.05.011