vasp 6.2.1 16May21 (build Apr 11 2022 11:03:26) complex parallel Lin64 2024 08 06 21:01:49 No title 0NormalNormal (blocked Davidson) F 1 2 1 95 2 -1 0.00001000 -0.02000000 0 2 1 400.00000000 0.75000000 0.32000000 1.11000000Auto 1 0.20000000 1 F F 1 20.00000000 0.00000000 0.00000000 0.00000000 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 4500.00000000 0.05000000 0.00000000 0.00000000 0.00000000 0.06666667 0.00000000 0.00000000 0.00000000 0.06666667 0.74911617 0.52508556 0.52117771 0.28977296 0.50651432 0.53963594 0.76408982 0.45894221 0.51534909 0.79407024 0.55926610 0.51436040 0.33594937 0.67331546 0.52201897 0.41602339 0.55246404 0.54353862 0.34748458 0.60527329 0.66724880 0.36345418 0.42604982 0.41475678 0.25483887 0.36237944 0.45232714 0.34876799 0.34609666 0.55379233 0.19874822 0.60208623 0.62138198 0.17154191 0.44558293 0.59471793 0.16966864 0.55102838 0.47254215 0.34880765 0.58730931 0.56934854 0.31562831 0.40738061 0.48884748 0.20470649 0.52644886 0.55707056 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 1 1 1 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 No title F normal 400.00000000 627.11200000 0.00001000 38 10 27 -1 -1 33.00000000 0 0 0 0 0.00000000 1 0.20000000 0.50000000 T T T -0.00050000 -0.00050000 -0.00050000 -100 2 F 0 2 1 1 F 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 -1.00000000 F 0.00000000 0.00000000 1.00000000 F 0.00000000 0.00000000 0.00000000 F F F 95 -5 2 400.00000000 T F 0.00000000 0.00000009 0.30000000 4 0.40000000 0.40000000 1.00000000 0.10000000 1.60000000 1.00000000 4 F -45 100.00000000 1 1 5 F F 0 1.00000000 -100.00000000 -100.00000000 -100.00000000 0.00000000 98 80 80 196 160 160 F 0 -1 0 2 0.00000000 -0.02000000 0 0.50000000 -3.00000000 1.00000000 0.00010000 0.00010000 1 1 256 16.00000000 2 0.00001000 0 0.75000000 0.32000000 1.11000000 301 10.00000000 -10.00000000 0.00000000 1 F F F F F F F F 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 3 4 -1 T F F F F F 3 -1 F 14.00100000 1.00000000 28.08500000 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 T T F 0 F 0-- 1 F F F F F F -1.00000000 0 0 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1 1 1 F F F 0 0 F 0.00000000 0.00000000 0 F -0.84910000 0.12340000 1.00000000 0.00000000 0 168.75000000 1.00000000 F F F F 0 0.10000000 -1.00000000 0.00200000 -0.10000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 0.00000000 0.00000000 0.00000000 T F F F T 0 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F F F F T 0 -1 0 0 0 F F F F F F 2 F F F F F F -2.00000000 -2.00000000 -1.00000000 F -1 0.00000000 0 0 -1 -1 -1 95 1 3 4 0 -30.00000000 -30.00000000 -200.00000000 0 -0.10000000 F F F F F F F 1 1 1 2800 0 -1 -1 0.80000001 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 16 3 ionelementatomtypeN 1N 1H 2H 2H 2H 2H 2H 2H 2H 2H 2H 2H 2Si 3Si 3Si 3typeatomspertypeelementmassvalencepseudopotential 2N 14.00100000 5.00000000 PAW_PBE N 08Apr2002 11H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 3Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 20.00000000 0.00000000 0.00000000 0.00000000 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 4500.00000000 0.05000000 0.00000000 0.00000000 0.00000000 0.06666667 0.00000000 0.00000000 0.00000000 0.06666667 0.74911617 0.52508556 0.52117771 0.28977296 0.50651432 0.53963594 0.76408982 0.45894221 0.51534909 0.79407024 0.55926610 0.51436040 0.33594937 0.67331546 0.52201897 0.41602339 0.55246404 0.54353862 0.34748458 0.60527329 0.66724880 0.36345418 0.42604982 0.41475678 0.25483887 0.36237944 0.45232714 0.34876799 0.34609666 0.55379233 0.19874822 0.60208623 0.62138198 0.17154191 0.44558293 0.59471793 0.16966864 0.55102838 0.47254215 0.34880765 0.58730931 0.56934854 0.31562831 0.40738061 0.48884748 0.20470649 0.52644886 0.55707056 F F F F F F T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T -3.00000000 0.00000000 0.00010000 0.00010000 0.69771961 945.00634944 -1617.43021688 34.92444310 697.71116387 -647.41094220 0.01374631 -232.62430366 975.41220283 156.30016240 156.28641609 156.29558030 9.69654934 9.74327255 9.71212375 -68.45120482 -68.39478587 -68.43239851 -76.10445319 -76.04803423 -76.08564687 -76.23927545 -76.18285649 -76.22046913 -70.72593496 -70.66953096 -70.70713362 -69.69283016 -69.63672805 -69.67412946 -69.39396735 -69.34064938 -69.37619469 -69.35027725 -69.31923351 -69.33992933 -69.34581796 -69.29635940 -69.32933177 -69.35303904 -69.27951812 -69.32853206 -69.33657750 -69.28396127 -69.31903876