vasp 6.2.1 16May21 (build Apr 11 2022 11:03:26) complex parallel Lin64 2024 08 17 00:12:42 No title 0NormalNormal (blocked Davidson) F 1 2 1 95 2 -1 0.00001000 -0.02000000 0 2 1 400.00000000 1.11000000 0.73000000 0.77000000 0.32000000Auto 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 0.36577328 0.49304158 0.49054899 0.35793187 0.56427295 0.40833031 0.44565089 0.49809119 0.51280014 0.33960974 0.39232879 0.46575954 0.31778222 0.51840722 0.57754612 0.29610305 0.58171798 0.36423459 0.47672882 0.45416524 0.58637610 0.36703744 0.34123296 0.39404744 0.32330135 0.60232368 0.62211758 0.27804727 0.52263679 0.32766247 0.25689052 0.60252349 0.41163846 0.30449612 0.63598846 0.31629502 0.45549316 0.38738895 0.59853256 0.53027352 0.44693482 0.57128094 0.47150054 0.49401998 0.64772706 0.34113071 0.27663732 0.39280884 0.35951834 0.37470210 0.32934207 0.42102645 0.32956355 0.40330699 0.37881714 0.62525921 0.65160497 0.31471563 0.65851504 0.57487446 0.27917436 0.60192389 0.67189926 0.61257499 0.78654418 0.54316710 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 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 644.87300000 0.00001000 38 10 42 -1 -1 57.00000000 0 0 0 0 0.00000000 1 0.20000000 0.50000000 T T T -0.00050000 -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 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 0.00000006 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 1.11000000 0.73000000 0.77000000 0.32000000 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 28.08500000 16.00000000 12.01100000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 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 0 122.72727273 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 22 4 ionelementatomtypeSi 1O 2O 2O 2O 2C 3C 3C 3C 3H 4H 4H 4H 4H 4H 4H 4H 4H 4H 4H 4H 4H 4typeatomspertypeelementmassvalencepseudopotential 1Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001 4O 16.00000000 6.00000000 PAW_PBE O 08Apr2002 4C 12.01100000 4.00000000 PAW_PBE C 08Apr2002 13H 1.00000000 1.00000000 PAW_PBE H 15Jun2001 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 0.36577328 0.49304158 0.49054899 0.35793187 0.56427295 0.40833031 0.44565089 0.49809119 0.51280014 0.33960974 0.39232879 0.46575954 0.31778222 0.51840722 0.57754612 0.29610305 0.58171798 0.36423459 0.47672882 0.45416524 0.58637610 0.36703744 0.34123296 0.39404744 0.32330135 0.60232368 0.62211758 0.27804727 0.52263679 0.32766247 0.25689052 0.60252349 0.41163846 0.30449612 0.63598846 0.31629502 0.45549316 0.38738895 0.59853256 0.53027352 0.44693482 0.57128094 0.47150054 0.49401998 0.64772706 0.34113071 0.27663732 0.39280884 0.35951834 0.37470210 0.32934207 0.42102645 0.32956355 0.40330699 0.37881714 0.62525921 0.65160497 0.31471563 0.65851504 0.57487446 0.27917436 0.60192389 0.67189926 0.61257499 0.78654418 0.54316710 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 T T T T T T T T T T T T T T T T T T T T T F F F -3.00000000 0.00000000 0.00010000 0.00010000 2.72167375 3999.83387276 -5940.40541330 183.92143197 1936.15224937 -1928.14668463 0.01851303 -324.26353966 2582.84965050 512.68175378 512.66324075 512.67558277 141.36868157 141.39918177 141.37884830 -92.26615354 -92.20973458 -92.24734722 -125.98852232 -125.93210336 -125.96971600 -126.79018441 -126.73376545 -126.77137809 -117.39153543 -117.33511648 -117.37272911 -115.89745625 -115.84103729 -115.87864993 -115.52047838 -115.46405949 -115.50167208 -115.44481163 -115.39009941 -115.42657422 -115.41969182 -115.38497744 -115.40812036 -115.42010895 -115.38417798 -115.40813196 -115.41909291 -115.38561845 -115.40793475 -115.40971147 -115.37572269 -115.39838188 -115.42514829 -115.37172756 -115.40734138 -115.44195464 -115.38560034 -115.42316987 -115.46173771 -115.40531880 -115.44293141 -115.46309597 -115.40667703 -115.44428965 -115.45492929 -115.39851126 -115.43612328 -115.41547383 -115.35591485 -115.39562084