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 12Lu 71.00 9 5 -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 10.00 214 0 2.00 224 1 6.00 234 2 10.00 245 0 2.00 255 1 6.00 264 3 14.00 275 2 1.00 286 0 2.00 29# 30# PSEUDOPOTENTIAL AND OPTIMIZATION 31# lmax 323 33# 34# l, rc, ep, ncon, nbas, qcut 350 1.55000 -2.24486 4 8 7.50000 361 1.60000 -1.16418 4 8 8.00000 372 1.45000 -0.06497 4 8 9.00000 383 1.85000 -0.35470 4 8 9.80000 39# 40# LOCAL POTENTIAL 41# lloc, lpopt, rc(5), dvloc0 424 5 1.30000 0.00000 43# 44# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs 45# l, nproj, debl 460 2 2.07302 471 2 1.11570 482 2 1.00000 493 2 1.50000 50# 51# MODEL CORE CHARGE 52# icmod, fcfact, rcfact 533 4.00000 1.40000 54# 55# LOG DERIVATIVE ANALYSIS 56# epsh1, epsh2, depsh 57-12.00 12.00 0.02 58# 59# OUTPUT GRID 60# rlmax, drl 616.00 0.01 62# 63# TEST CONFIGURATIONS 64# ncnf 650 66# nvcnf 67# n l f</PP_INPUTFILE></PP_INFO><PP_HEADER generated="Generated using ONCVPSP code by D. R. Hamann" author="anonymous" date="180301" comment="" element="Lu" pseudo_type="NC" relativistic="scalar" is_ultrasoft="F" is_paw="F" is_coulomb="F" has_so="F" has_wfc="F" has_gipaw="F" core_correction="T" functional="PBESOL" z_valence=" 25.00" total_psenergy=" -4.67931120173E+02" rho_cutoff=" 2.00700000000E+01" l_max="3" l_local="-1" mesh_size=" 2008" number_of_wfc="5" number_of_proj="8"/><PP_MESH><PP_R type="real" size="2008" columns="8"> 680.0000 0.0100 0.0200 0.0300 0.0400 0.0500 0.0600 0.0700 690.0800 0.0900 0.1000 0.1100 0.1200 0.1300 0.1400 0.1500 700.1600 0.1700 0.1800 0.1900 0.2000 0.2100 0.2200 0.2300 710.2400 0.2500 0.2600 0.2700 0.2800 0.2900 0.3000 0.3100 720.3200 0.3300 0.3400 0.3500 0.3600 0.3700 0.3800 0.3900 730.4000 0.4100 0.4200 0.4300 0.4400 0.4500 0.4600 0.4700 740.4800 0.4900 0.5000 0.5100 0.5200 0.5300 0.5400 0.5500 750.5600 0.5700 0.5800 0.5900 0.6000 0.6100 0.6200 0.6300 760.6400 0.6500 0.6600 0.6700 0.6800 0.6900 0.7000 0.7100 770.7200 0.7300 0.7400 0.7500 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