This pseudopotential file has been produced using the code ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential) scalar-relativistic version 2.1.1, 03/26/2014 by D. R. Hamann The code is available through a link at URL www.mat-simresearch.com. Documentation with the package provides a full discription of the input data below. While it is not required under the terms of the GNU GPL, it is suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013) in any publication using these pseudopotentials. Copyright 2015 The Regents of the University of California This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International License. To view a copy of this license, visit http://creativecommons.org/licenses/by-sa/4.0/ or send a letter to Creative Commons, PO Box 1866, Mountain View, CA 94042, USA. This pseudopotential is part of the Schlipf-Gygi norm-conserving pseudopotential library. Its construction parameters were tuned to reproduce materials of a training set with very high accuracy and should be suitable as a general purpose pseudopotential to treat a variety of different compounds. For details of the construction and testing of the pseudopotential please refer to: M. Schlipf, F. Gygi, Comp. Phys. Comm. 196, 36 (2015) http://dx.doi.org/10.1016/j.cpc.2015.05.011 We kindly ask that you include this reference in all publications associated to this pseudopotential. Input file for PP generation: # ATOM AND REFERENCE CONFIGURATION # atsym z nc nv iexc psfile H 1.00 0 1 4 fpmd # # n l f energy (Ha) 1 0 1.00 # # PSEUDOPOTENTIAL AND OPTIMIZATION # lmax 0 # # l, rc, ep, ncon, nbas, qcut 0 1.13748 -0.23860 5 8 9.72141 # # LOCAL POTENTIAL # lloc, lpopt, rc(5), dvloc0 4 5 0.49352 0.00000 # # VANDERBILT-KLEINMAN-BYLANDER PROJECTORs # l, nproj, debl 0 2 1.27464 # # MODEL CORE CHARGE # icmod, fcfact 0 0.00000 # # LOG DERIVATIVE ANALYSIS # epsh1, epsh2, depsh -5.00 3.00 0.02 # # OUTPUT GRID # rlmax, drl 6.00 0.01 # # TEST CONFIGURATIONS # ncnf 0 # nvcnf # n l f H 1 1.00800002 1 0.0100 -4.5305218779E+00 -4.5284089720E+00 -4.5220184212E+00 -4.5114037120E+00 -4.4966183311E+00 -4.4777356928E+00 -4.4548477544E+00 -4.4280633842E+00 -4.3975065609E+00 -4.3633144927E+00 -4.3256357357E+00 -4.2846283859E+00 -4.2404583986E+00 -4.1932980789E+00 -4.1433247629E+00 -4.0907197020E+00 -4.0356671403E+00 -3.9783535712E+00 -3.9189671485E+00 -3.8576972237E+00 -3.7947339776E+00 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