vasp 6.1.1 19Jun20 (build Jun 25 2020 02:42:34) complex parallel Lin64 2021 12 10 01:00:31 No title 0 Normal Normal (blocked Davidson) F 1 2 1 60 2 -1 0.00001000 -0.02000000 0 2 1 400.00000000 1.16000000 0.75000000 Auto 1 0.20000000 1 F F 4 Normal (blocked Davidson) 60 1 0.00001000 1 10.15800000 0.00000000 0.00000000 0.00000000 10.15800000 0.00000000 0.00000000 0.00000000 29.36560000 3030.08837884 0.09844458 0.00000000 0.00000000 0.00000000 0.09844458 0.00000000 0.00000000 0.00000000 0.03405345 0.06021311 0.06347611 0.47196521 0.18521311 0.18847611 0.53311499 0.01790412 0.05164931 0.56205130 0.18521311 0.18847611 0.28843157 0.06021311 0.06347611 0.34966085 0.98991650 0.83992290 0.45873569 0.06021311 0.06347611 0.59426479 0.18521311 0.18847611 0.41081541 0.06021311 0.31347611 0.47196521 0.18521311 0.43847611 0.53311499 0.70980467 0.49768867 0.53572841 0.18521311 0.43847611 0.28843157 0.06021311 0.31347611 0.34966085 0.59668815 0.15783117 0.93619275 0.06021311 0.31347611 0.59426479 0.18521311 0.43847611 0.41081541 0.06021311 0.56347611 0.47196521 0.18521311 0.68847611 0.53311499 0.09754442 0.28602175 0.86948392 0.18521311 0.68847611 0.28843157 0.06021311 0.56347611 0.34966085 0.63605590 0.74945050 0.89351015 0.06021311 0.56347611 0.59426479 0.18521311 0.68847611 0.41081541 0.06021311 0.81347611 0.47196521 0.18521311 0.93847611 0.53311499 0.25764908 0.88892146 0.52172297 0.18521311 0.93847611 0.28843157 0.06021311 0.81347611 0.34966085 0.58163933 0.23618581 0.47189099 0.06021311 0.81347611 0.59426479 0.18521311 0.93847611 0.41081541 0.31021311 0.06347611 0.47196521 0.43521311 0.18847611 0.53311499 0.09484036 0.45462033 0.60184158 0.43521311 0.18847611 0.28843157 0.31021311 0.06347611 0.34966085 0.90612995 0.24771824 0.16025686 0.31021311 0.06347611 0.59426479 0.43521311 0.18847611 0.41081541 0.31021311 0.31347611 0.47196521 0.43521311 0.43847611 0.53311499 0.79773840 0.47725928 0.61674079 0.43521311 0.43847611 0.28843157 0.31021311 0.31347611 0.34966085 0.94549938 0.16585240 0.29066659 0.31021305 0.31347608 0.59426476 0.43521311 0.43847611 0.41081541 0.31021311 0.56347611 0.47196521 0.43521311 0.68847611 0.53311499 0.67068614 0.97984484 0.33662348 0.43521311 0.68847611 0.28843157 0.31021311 0.56347611 0.34966085 0.30016688 0.10904284 0.06345944 0.31021443 0.56347615 0.59426543 0.43521311 0.68847611 0.41081541 0.31021311 0.81347611 0.47196521 0.43521311 0.93847611 0.53311499 0.95693005 0.24687638 0.30126793 0.43521311 0.93847611 0.28843157 0.31021311 0.81347611 0.34966085 0.71011327 0.79650087 0.99167394 0.31021317 0.81347605 0.59426481 0.43521311 0.93847611 0.41081541 0.56021311 0.06347611 0.47196521 0.68521311 0.18847611 0.53311499 0.00850941 0.56459664 0.72279655 0.68521311 0.18847611 0.28843157 0.56021311 0.06347611 0.34966085 0.67879946 0.76486936 0.09595887 0.56021311 0.06347611 0.59426479 0.68521311 0.18847611 0.41081541 0.56021311 0.31347611 0.47196521 0.68521311 0.43847611 0.53311499 0.03269152 0.02060805 0.44626028 0.68521311 0.43847611 0.28843157 0.56021311 0.31347611 0.34966085 0.62711770 0.75375454 0.76666493 0.56021310 0.31347741 0.59426539 0.68521311 0.43847611 0.41081541 0.56021311 0.56347611 0.47196521 0.68521311 0.68847611 0.53311499 0.35297836 0.78171972 0.58856867 0.68521311 0.68847611 0.28843157 0.56021311 0.56347611 0.34966085 0.29480063 0.77258425 0.66087402 0.56021309 0.56347621 0.59426622 0.68521311 0.68847611 0.41081541 0.56021311 0.81347611 0.47196521 0.68521311 0.93847611 0.53311499 0.33383714 0.78449793 0.56704467 0.68521311 0.93847611 0.28843157 0.56021311 0.81347611 0.34966085 0.42122434 0.26057210 0.71628053 0.56021310 0.81347478 0.59426545 0.68521311 0.93847611 0.41081541 0.81021311 0.06347611 0.47196521 0.93521311 0.18847611 0.53311499 0.78248328 0.50530347 0.46694806 0.93521311 0.18847611 0.28843157 0.81021311 0.06347611 0.34966085 0.48320153 0.46542594 0.17427502 0.81021311 0.06347611 0.59426479 0.93521311 0.18847611 0.41081541 0.81021311 0.31347611 0.47196521 0.93521311 0.43847611 0.53311499 0.28580434 0.29781984 0.29298565 0.93521311 0.43847611 0.28843157 0.81021311 0.31347611 0.34966085 0.02984179 0.11667083 0.33773262 0.81021318 0.31347607 0.59426475 0.93521311 0.43847611 0.41081541 0.81021311 0.56347611 0.47196521 0.93521311 0.68847611 0.53311499 0.11983719 0.10267456 0.80157745 0.93521311 0.68847611 0.28843157 0.81021311 0.56347611 0.34966085 0.42070705 0.44050070 0.72974005 0.81021180 0.56347616 0.59426542 0.93521311 0.68847611 0.41081541 0.81021311 0.81347611 0.47196521 0.93521311 0.93847611 0.53311499 0.36326778 0.77964246 0.62856931 0.93521311 0.93847611 0.28843157 0.81021311 0.81347611 0.34966085 0.10023012 0.44410958 0.74398747 0.81021305 0.81347605 0.59426481 0.93521311 0.93847611 0.41081541 0.81521466 0.83260318 0.71278287 0.14693187 0.98713860 0.85539791 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 2 2 1 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.50000000 0.50000000 0.00000000 0.25000000 0.25000000 0.25000000 0.25000000 No title F normal 400.00000000 627.11200000 0.00001000 38 10 700 -1 -1 1162.00000000 0 0 0 0 0.00000000 1 0.20000000 0.50000000 T T T -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 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 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 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 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 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 60 -5 2 400.00000000 T F 0.00000000 0.00000000 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 50 50 144 100 100 288 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 1.16000000 0.75000000 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 4 4 -1 T F F F F F 3 -1 F 58.93300000 14.00100000 0.00000000 0.00000000 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 13.98502329 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 60 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 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 F 130 2 ionelementatomtypeCo 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1Co 1N 2N 2typeatomspertypeelementmassvalencepseudopotential 128Co 58.93300000 9.00000000 PAW_PBE Co 02Aug2007 2N 14.00100000 5.00000000 PAW_PBE N 08Apr2002 10.15800000 0.00000000 0.00000000 0.00000000 10.15800000 0.00000000 0.00000000 0.00000000 29.36560000 3030.08837884 0.09844458 0.00000000 0.00000000 0.00000000 0.09844458 0.00000000 0.00000000 0.00000000 0.03405345 0.06021311 0.06347611 0.47196521 0.18521311 0.18847611 0.53311499 0.01790412 0.05164931 0.56205130 0.18521311 0.18847611 0.28843157 0.06021311 0.06347611 0.34966085 0.98991650 0.83992290 0.45873569 0.06021311 0.06347611 0.59426479 0.18521311 0.18847611 0.41081541 0.06021311 0.31347611 0.47196521 0.18521311 0.43847611 0.53311499 0.70980467 0.49768867 0.53572841 0.18521311 0.43847611 0.28843157 0.06021311 0.31347611 0.34966085 0.59668815 0.15783117 0.93619275 0.06021311 0.31347611 0.59426479 0.18521311 0.43847611 0.41081541 0.06021311 0.56347611 0.47196521 0.18521311 0.68847611 0.53311499 0.09754442 0.28602175 0.86948392 0.18521311 0.68847611 0.28843157 0.06021311 0.56347611 0.34966085 0.63605590 0.74945050 0.89351015 0.06021311 0.56347611 0.59426479 0.18521311 0.68847611 0.41081541 0.06021311 0.81347611 0.47196521 0.18521311 0.93847611 0.53311499 0.25764908 0.88892146 0.52172297 0.18521311 0.93847611 0.28843157 0.06021311 0.81347611 0.34966085 0.58163933 0.23618581 0.47189099 0.06021311 0.81347611 0.59426479 0.18521311 0.93847611 0.41081541 0.31021311 0.06347611 0.47196521 0.43521311 0.18847611 0.53311499 0.09484036 0.45462033 0.60184158 0.43521311 0.18847611 0.28843157 0.31021311 0.06347611 0.34966085 0.90612995 0.24771824 0.16025686 0.31021311 0.06347611 0.59426479 0.43521311 0.18847611 0.41081541 0.31021311 0.31347611 0.47196521 0.43521311 0.43847611 0.53311499 0.79773840 0.47725928 0.61674079 0.43521311 0.43847611 0.28843157 0.31021311 0.31347611 0.34966085 0.94549938 0.16585240 0.29066659 0.31021305 0.31347608 0.59426476 0.43521311 0.43847611 0.41081541 0.31021311 0.56347611 0.47196521 0.43521311 0.68847611 0.53311499 0.67068614 0.97984484 0.33662348 0.43521311 0.68847611 0.28843157 0.31021311 0.56347611 0.34966085 0.30016688 0.10904284 0.06345944 0.31021443 0.56347615 0.59426543 0.43521311 0.68847611 0.41081541 0.31021311 0.81347611 0.47196521 0.43521311 0.93847611 0.53311499 0.95693005 0.24687638 0.30126793 0.43521311 0.93847611 0.28843157 0.31021311 0.81347611 0.34966085 0.71011327 0.79650087 0.99167394 0.31021317 0.81347605 0.59426481 0.43521311 0.93847611 0.41081541 0.56021311 0.06347611 0.47196521 0.68521311 0.18847611 0.53311499 0.00850941 0.56459664 0.72279655 0.68521311 0.18847611 0.28843157 0.56021311 0.06347611 0.34966085 0.67879946 0.76486936 0.09595887 0.56021311 0.06347611 0.59426479 0.68521311 0.18847611 0.41081541 0.56021311 0.31347611 0.47196521 0.68521311 0.43847611 0.53311499 0.03269152 0.02060805 0.44626028 0.68521311 0.43847611 0.28843157 0.56021311 0.31347611 0.34966085 0.62711770 0.75375454 0.76666493 0.56021310 0.31347741 0.59426539 0.68521311 0.43847611 0.41081541 0.56021311 0.56347611 0.47196521 0.68521311 0.68847611 0.53311499 0.35297836 0.78171972 0.58856867 0.68521311 0.68847611 0.28843157 0.56021311 0.56347611 0.34966085 0.29480063 0.77258425 0.66087402 0.56021309 0.56347621 0.59426622 0.68521311 0.68847611 0.41081541 0.56021311 0.81347611 0.47196521 0.68521311 0.93847611 0.53311499 0.33383714 0.78449793 0.56704467 0.68521311 0.93847611 0.28843157 0.56021311 0.81347611 0.34966085 0.42122434 0.26057210 0.71628053 0.56021310 0.81347478 0.59426545 0.68521311 0.93847611 0.41081541 0.81021311 0.06347611 0.47196521 0.93521311 0.18847611 0.53311499 0.78248328 0.50530347 0.46694806 0.93521311 0.18847611 0.28843157 0.81021311 0.06347611 0.34966085 0.48320153 0.46542594 0.17427502 0.81021311 0.06347611 0.59426479 0.93521311 0.18847611 0.41081541 0.81021311 0.31347611 0.47196521 0.93521311 0.43847611 0.53311499 0.28580434 0.29781984 0.29298565 0.93521311 0.43847611 0.28843157 0.81021311 0.31347611 0.34966085 0.02984179 0.11667083 0.33773262 0.81021318 0.31347607 0.59426475 0.93521311 0.43847611 0.41081541 0.81021311 0.56347611 0.47196521 0.93521311 0.68847611 0.53311499 0.11983719 0.10267456 0.80157745 0.93521311 0.68847611 0.28843157 0.81021311 0.56347611 0.34966085 0.42070705 0.44050070 0.72974005 0.81021180 0.56347616 0.59426542 0.93521311 0.68847611 0.41081541 0.81021311 0.81347611 0.47196521 0.93521311 0.93847611 0.53311499 0.36326778 0.77964246 0.62856931 0.93521311 0.93847611 0.28843157 0.81021311 0.81347611 0.34966085 0.10023012 0.44410958 0.74398747 0.81021305 0.81347605 0.59426481 0.93521311 0.93847611 0.41081541 0.81521466 0.83260318 0.71278287 0.14693187 0.98713860 0.85539791 F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F F F F F F F T T T F F F F F F T T T F F F F F F T T T T T T -3.00000000 0.00000000 0.00010000 0.00010000 2326.73294518 663224.15781099 -757744.63818461 2208.86238431 92699.30925546 -99489.52583102 -0.00084955 4471.45103289 104638.73996969 12335.08853333 12335.08938288 12335.08881651