Optimized norm-conserving Vanderbilt pseudopotentials

Physical Review B - Condensed Matter and Materials Physics

Volumn 88, Issue 8, 2013, Pages

  Hamann, D R ^a,b  

^a RUTGERS UNIVERSITY   (United States)

^b Mat Sim Research LLC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84884580124     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.88.085117     Document Type: Article

References (40)

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40. oncvpsp is available at http://www.mat-simresearch.com. The present pseudopotential formats are compatible with abinit and pwscf (http://www.quantumespresso.org). The distribution includes input data files for all the potentials used in the Sec. tests, and output including potentials, all-electron and pseudo-wave-function plots, and logarithmic derivative plots.