This pseudopotential file has been produced using the code ONCVPSP (Optimized Norm-Conservinng Vanderbilt PSeudopotential) fully-relativistic version 3.2.2 08/07/2015 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 Sn 50.00 8 3 4 upf # # n l f energy (Ha) 1 0 2.00 2 0 2.00 2 1 6.00 3 0 2.00 3 1 6.00 3 2 10.00 4 0 2.00 4 1 6.00 4 2 10.00 5 0 2.00 5 1 2.00 # # PSEUDOPOTENTIAL AND OPTIMIZATION # lmax 2 # # l, rc, ep, ncon, nbas, qcut 0 2.78 -0.39 5 8 2.53 1 2.92 -0.13 5 8 4.91 2 3.37 -0.93 5 8 6.54 # # LOCAL POTENTIAL # lloc, lpopt, rc(5), dvloc0 4 5 1.92 0.00 # # VANDERBILT-KLEINMAN-BYLANDER PROJECTORs # l, nproj, debl 0 2 0.9997 1 2 0.8484 2 2 1.3300 # # MODEL CORE CHARGE # icmod, fcfact 0 0.00 # # 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 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 4.7000 4.7100 4.7200 4.7300 4.7400 4.7500 4.7600 4.7700 4.7800 4.7900 4.8000 4.8100 4.8200 4.8300 4.8400 4.8500 4.8600 4.8700 4.8800 4.8900 4.9000 4.9100 4.9200 4.9300 4.9400 4.9500 4.9600 4.9700 4.9800 4.9900 5.0000 5.0100 5.0200 5.0300 5.0400 5.0500 5.0600 5.0700 5.0800 5.0900 5.1000 5.1100 5.1200 5.1300 5.1400 5.1500 5.1600 5.1700 5.1800 5.1900 5.2000 5.2100 5.2200 5.2300 5.2400 5.2500 5.2600 5.2700 5.2800 5.2900 5.3000 5.3100 5.3200 5.3300 5.3400 5.3500 5.3600 5.3700 5.3800 5.3900 5.4000 5.4100 5.4200 5.4300 5.4400 5.4500 5.4600 5.4700 5.4800 5.4900 5.5000 5.5100 5.5200 5.5300 5.5400 5.5500 5.5600 5.5700 5.5800 5.5900 5.6000 5.6100 5.6200 5.6300 5.6400 5.6500 5.6600 5.6700 5.6800 5.6900 5.7000 5.7100 5.7200 5.7300 5.7400 5.7500 5.7600 5.7700 5.7800 5.7900 5.8000 5.8100 5.8200 5.8300 5.8400 5.8500 5.8600 5.8700 5.8800 5.8900 5.9000 5.9100 5.9200 5.9300 5.9400 5.9500 5.9600 5.9700 5.9800 5.9900 6.0000 6.0100 6.0200 6.0300 6.0400 6.0500 6.0600 6.0700 6.0800 6.0900 6.1000 6.1100 6.1200 6.1300 6.1400 6.1500 6.1600 6.1700 6.1800 6.1900 6.2000 6.2100 6.2200 6.2300 6.2400 6.2500 6.2600 6.2700 6.2800 6.2900 6.3000 6.3100 6.3200 6.3300 6.3400 6.3500 6.3600 6.3700 6.3800 6.3900 6.4000 6.4100 6.4200 6.4300 6.4400 6.4500 6.4600 6.4700 6.4800 6.4900 6.5000 6.5100 6.5200 6.5300 6.5400 6.5500 6.5600 6.5700 6.5800 6.5900 6.6000 6.6100 6.6200 6.6300 6.6400 6.6500 6.6600 6.6700 6.6800 6.6900 6.7000 6.7100 6.7200 6.7300 6.7400 6.7500 6.7600 6.7700 6.7800 6.7900 6.8000 6.8100 6.8200 6.8300 6.8400 6.8500 6.8600 6.8700 6.8800 6.8900 6.9000 6.9100 6.9200 6.9300 6.9400 6.9500 6.9600 6.9700 6.9800 6.9900 7.0000 7.0100 7.0200 7.0300 7.0400 7.0500 7.0600 7.0700 7.0800 7.0900 7.1000 7.1100 7.1200 7.1300 7.1400 7.1500 7.1600 7.1700 7.1800 7.1900 7.2000 7.2100 7.2200 7.2300 7.2400 7.2500 7.2600 7.2700 7.2800 7.2900 7.3000 7.3100 7.3200 7.3300 7.3400 7.3500 7.3600 7.3700 7.3800 7.3900 7.4000 7.4100 7.4200 7.4300 7.4400 7.4500 7.4600 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