1<UPF version="2.0.1"><PP_INFO>This pseudopotential file has been produced using the code 2ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential) 3scalar-relativistic version 3.3.0 08/16/2017 by D. R. Hamann 4The code is available through a link at URL www.mat-simresearch.com. 5Documentation with the package provides a full discription of the 6input data below. 7While it is not required under the terms of the GNU GPL, it is 8suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013) 9in any publication using these pseudopotentials.<PP_INPUTFILE> 10# ATOM AND REFERENCE CONFIGURATION 11# atsym z nc nv iexc psfile 12Sc 21.00 3 4 -116133 upf 13# 14# n l f energy (Ha) 151 0 2.00 162 0 2.00 172 1 6.00 183 0 2.00 193 1 6.00 203 2 1.00 214 0 2.00 22# 23# PSEUDOPOTENTIAL AND OPTIMIZATION 24# lmax 252 26# 27# l, rc, ep, ncon, nbas, qcut 280 1.35000 -2.01666 4 9 8.60000 291 1.35000 -1.23288 4 8 9.00000 302 1.65000 -0.11930 4 8 8.80000 31# 32# LOCAL POTENTIAL 33# lloc, lpopt, rc(5), dvloc0 344 5 1.30000 0.00000 35# 36# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs 37# l, nproj, debl 380 2 1.86274 391 2 2.00000 402 2 2.00000 41# 42# MODEL CORE CHARGE 43# icmod, fcfact, rcfact 443 5.00000 1.25000 45# 46# LOG DERIVATIVE ANALYSIS 47# epsh1, epsh2, depsh 48-12.00 12.00 0.02 49# 50# OUTPUT GRID 51# rlmax, drl 526.00 0.01 53# 54# TEST CONFIGURATIONS 55# ncnf 560 57# nvcnf 58# n l f</PP_INPUTFILE></PP_INFO><PP_HEADER generated="Generated using ONCVPSP code by D. R. 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