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. # ATOM AND REFERENCE CONFIGURATION # atsym z nc nv iexc psfile H 1.00 0 1 4 upf # # 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 0.0000 0.0100 0.0200 0.0300 0.0400 0.0500 0.0600 0.0700 0.0800 0.0900 0.1000 0.1100 0.1200 0.1300 0.1400 0.1500 0.1600 0.1700 0.1800 0.1900 0.2000 0.2100 0.2200 0.2300 0.2400 0.2500 0.2600 0.2700 0.2800 0.2900 0.3000 0.3100 0.3200 0.3300 0.3400 0.3500 0.3600 0.3700 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