This pseudopotential file has been produced using the code ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential) scalar-relativistic version 3.3.0 08/16/2017 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. # ATOM AND REFERENCE CONFIGURATION # atsym z nc nv iexc psfile C 6.00 1 2 4 upf # # n l f energy (Ha) 1 0 2.00 2 0 2.00 2 1 2.00 # # PSEUDOPOTENTIAL AND OPTIMIZATION # lmax 1 # # l, rc, ep, ncon, nbas, qcut 0 1.20000 -0.50533 4 7 9.00000 1 1.25000 -0.19424 4 8 9.40000 # # LOCAL POTENTIAL # lloc, lpopt, rc(5), dvloc0 4 5 1.20000 0.00000 # # VANDERBILT-KLEINMAN-BYLANDER PROJECTORs # l, nproj, debl 0 2 2.00000 1 2 1.50000 # # MODEL CORE CHARGE # icmod, fcfact, rcfact 3 4.00000 1.55000 # # LOG DERIVATIVE ANALYSIS # epsh1, epsh2, depsh -12.00 12.00 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 0.3800 0.3900 0.4000 0.4100 0.4200 0.4300 0.4400 0.4500 0.4600 0.4700 0.4800 0.4900 0.5000 0.5100 0.5200 0.5300 0.5400 0.5500 0.5600 0.5700 0.5800 0.5900 0.6000 0.6100 0.6200 0.6300 0.6400 0.6500 0.6600 0.6700 0.6800 0.6900 0.7000 0.7100 0.7200 0.7300 0.7400 0.7500 0.7600 0.7700 0.7800 0.7900 0.8000 0.8100 0.8200 0.8300 0.8400 0.8500 0.8600 0.8700 0.8800 0.8900 0.9000 0.9100 0.9200 0.9300 0.9400 0.9500 0.9600 0.9700 0.9800 0.9900 1.0000 1.0100 1.0200 1.0300 1.0400 1.0500 1.0600 1.0700 1.0800 1.0900 1.1000 1.1100 1.1200 1.1300 1.1400 1.1500 1.1600 1.1700 1.1800 1.1900 1.2000 1.2100 1.2200 1.2300 1.2400 1.2500 1.2600 1.2700 1.2800 1.2900 1.3000 1.3100 1.3200 1.3300 1.3400 1.3500 1.3600 1.3700 1.3800 1.3900 1.4000 1.4100 1.4200 1.4300 1.4400 1.4500 1.4600 1.4700 1.4800 1.4900 1.5000 1.5100 1.5200 1.5300 1.5400 1.5500 1.5600 1.5700 1.5800 1.5900 1.6000 1.6100 1.6200 1.6300 1.6400 1.6500 1.6600 1.6700 1.6800 1.6900 1.7000 1.7100 1.7200 1.7300 1.7400 1.7500 1.7600 1.7700 1.7800 1.7900 1.8000 1.8100 1.8200 1.8300 1.8400 1.8500 1.8600 1.8700 1.8800 1.8900 1.9000 1.9100 1.9200 1.9300 1.9400 1.9500 1.9600 1.9700 1.9800 1.9900 2.0000 2.0100 2.0200 2.0300 2.0400 2.0500 2.0600 2.0700 2.0800 2.0900 2.1000 2.1100 2.1200 2.1300 2.1400 2.1500 2.1600 2.1700 2.1800 2.1900 2.2000 2.2100 2.2200 2.2300 2.2400 2.2500 2.2600 2.2700 2.2800 2.2900 2.3000 2.3100 2.3200 2.3300 2.3400 2.3500 2.3600 2.3700 2.3800 2.3900 2.4000 2.4100 2.4200 2.4300 2.4400 2.4500 2.4600 2.4700 2.4800 2.4900 2.5000 2.5100 2.5200 2.5300 2.5400 2.5500 2.5600 2.5700 2.5800 2.5900 2.6000 2.6100 2.6200 2.6300 2.6400 2.6500 2.6600 2.6700 2.6800 2.6900 2.7000 2.7100 2.7200 2.7300 2.7400 2.7500 2.7600 2.7700 2.7800 2.7900 2.8000 2.8100 2.8200 2.8300 2.8400 2.8500 2.8600 2.8700 2.8800 2.8900 2.9000 2.9100 2.9200 2.9300 2.9400 2.9500 2.9600 2.9700 2.9800 2.9900 3.0000 3.0100 3.0200 3.0300 3.0400 3.0500 3.0600 3.0700 3.0800 3.0900 3.1000 3.1100 3.1200 3.1300 3.1400 3.1500 3.1600 3.1700 3.1800 3.1900 3.2000 3.2100 3.2200 3.2300 3.2400 3.2500 3.2600 3.2700 3.2800 3.2900 3.3000 3.3100 3.3200 3.3300 3.3400 3.3500 3.3600 3.3700 3.3800 3.3900 3.4000 3.4100 3.4200 3.4300 3.4400 3.4500 3.4600 3.4700 3.4800 3.4900 3.5000 3.5100 3.5200 3.5300 3.5400 3.5500 3.5600 3.5700 3.5800 3.5900 3.6000 3.6100 3.6200 3.6300 3.6400 3.6500 3.6600 3.6700 3.6800 3.6900 3.7000 3.7100 3.7200 3.7300 3.7400 3.7500 3.7600 3.7700 3.7800 3.7900 3.8000 3.8100 3.8200 3.8300 3.8400 3.8500 3.8600 3.8700 3.8800 3.8900 3.9000 3.9100 3.9200 3.9300 3.9400 3.9500 3.9600 3.9700 3.9800 3.9900 4.0000 4.0100 4.0200 4.0300 4.0400 4.0500 4.0600 4.0700 4.0800 4.0900 4.1000 4.1100 4.1200 4.1300 4.1400 4.1500 4.1600 4.1700 4.1800 4.1900 4.2000 4.2100 4.2200 4.2300 4.2400 4.2500 4.2600 4.2700 4.2800 4.2900 4.3000 4.3100 4.3200 4.3300 4.3400 4.3500 4.3600 4.3700 4.3800 4.3900 4.4000 4.4100 4.4200 4.4300 4.4400 4.4500 4.4600 4.4700 4.4800 4.4900 4.5000 4.5100 4.5200 4.5300 4.5400 4.5500 4.5600 4.5700 4.5800 4.5900 4.6000 4.6100 4.6200 4.6300 4.6400 4.6500 4.6600 4.6700 4.6800 4.6900 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