vasp 6.1.1 19Jun20 (build Jun 25 2020 02:42:34) complex parallel Lin64 2021 12 10 00:27:51 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 0.03877384 0.05753890 0.63343862 0.18521311 0.18847611 0.28843157 0.06021311 0.06347611 0.34966085 0.58634706 0.51236837 0.55494141 0.06021311 0.06347611 0.59426479 0.18521311 0.18847611 0.41081541 0.06021311 0.31347611 0.47196521 0.18521311 0.43847611 0.53311499 0.88551479 0.90333098 0.61994184 0.18521311 0.43847611 0.28843157 0.06021311 0.31347611 0.34966085 0.39056179 0.79693233 0.79313684 0.06021311 0.31347611 0.59426479 0.18521311 0.43847611 0.41081541 0.06021311 0.56347611 0.47196521 0.18521311 0.68847611 0.53311499 0.07905366 0.42575207 0.78612570 0.18521311 0.68847611 0.28843157 0.06021311 0.56347611 0.34966085 0.41020553 0.71926592 0.77153774 0.06021311 0.56347611 0.59426479 0.18521311 0.68847611 0.41081541 0.06021311 0.81347611 0.47196521 0.18521311 0.93847611 0.53311499 0.15870790 0.85091745 0.61328823 0.18521311 0.93847611 0.28843157 0.06021311 0.81347611 0.34966085 0.38291932 0.58835455 0.56197833 0.06021311 0.81347611 0.59426479 0.18521311 0.93847611 0.41081541 0.31021311 0.06347611 0.47196521 0.43521311 0.18847611 0.53311499 0.70148211 0.25864440 0.65329470 0.43521311 0.18847611 0.28843157 0.31021311 0.06347611 0.34966085 0.66982124 0.21822851 0.90496976 0.31021311 0.06347611 0.59426479 0.43521311 0.18847611 0.41081541 0.31021311 0.31347611 0.47196521 0.43521311 0.43847611 0.53311499 0.55287524 0.89230318 0.66039474 0.43521311 0.43847611 0.28843157 0.31021311 0.31347611 0.34966085 0.69194148 0.30250430 0.97009165 0.31021305 0.31347608 0.59426476 0.43521311 0.43847611 0.41081541 0.31021311 0.56347611 0.47196521 0.43521311 0.68847611 0.53311499 0.48963553 0.27338508 0.52088245 0.43521311 0.68847611 0.28843157 0.31021311 0.56347611 0.34966085 0.86926805 0.39685139 0.85678811 0.31021443 0.56347615 0.59426543 0.43521311 0.68847611 0.41081541 0.31021311 0.81347611 0.47196521 0.43521311 0.93847611 0.53311499 0.63234645 0.53055971 0.50351458 0.43521311 0.93847611 0.28843157 0.31021311 0.81347611 0.34966085 0.57163442 0.86760517 0.82067839 0.31021317 0.81347605 0.59426481 0.43521311 0.93847611 0.41081541 0.56021311 0.06347611 0.47196521 0.68521311 0.18847611 0.53311499 0.28474209 0.31338215 0.71311638 0.68521311 0.18847611 0.28843157 0.56021311 0.06347611 0.34966085 0.68210765 0.97884316 0.87319028 0.56021311 0.06347611 0.59426479 0.68521311 0.18847611 0.41081541 0.56021311 0.31347611 0.47196521 0.68521311 0.43847611 0.53311499 0.29684066 0.16797774 0.57698864 0.68521311 0.43847611 0.28843157 0.56021311 0.31347611 0.34966085 0.15550906 0.09618157 0.70840388 0.56021310 0.31347741 0.59426539 0.68521311 0.43847611 0.41081541 0.56021311 0.56347611 0.47196521 0.68521311 0.68847611 0.53311499 0.45644145 0.16960062 0.64797262 0.68521311 0.68847611 0.28843157 0.56021311 0.56347611 0.34966085 0.98872694 0.22810090 0.65630297 0.56021309 0.56347621 0.59426622 0.68521311 0.68847611 0.41081541 0.56021311 0.81347611 0.47196521 0.68521311 0.93847611 0.53311499 0.44723353 0.79902971 0.63571191 0.68521311 0.93847611 0.28843157 0.56021311 0.81347611 0.34966085 0.55399139 0.09879462 0.68360212 0.56021310 0.81347478 0.59426545 0.68521311 0.93847611 0.41081541 0.81021311 0.06347611 0.47196521 0.93521311 0.18847611 0.53311499 0.79706981 0.28402864 0.58567974 0.93521311 0.18847611 0.28843157 0.81021311 0.06347611 0.34966085 0.70978067 0.32669187 0.91190654 0.81021311 0.06347611 0.59426479 0.93521311 0.18847611 0.41081541 0.81021311 0.31347611 0.47196521 0.93521311 0.43847611 0.53311499 0.04775277 0.80351740 0.50067529 0.93521311 0.43847611 0.28843157 0.81021311 0.31347611 0.34966085 0.98152142 0.27786192 0.99369510 0.81021318 0.31347607 0.59426475 0.93521311 0.43847611 0.41081541 0.81021311 0.56347611 0.47196521 0.93521311 0.68847611 0.53311499 0.96471890 0.33381893 0.75386219 0.93521311 0.68847611 0.28843157 0.81021311 0.56347611 0.34966085 0.17695967 0.56534801 0.69020469 0.81021180 0.56347616 0.59426542 0.93521311 0.68847611 0.41081541 0.81021311 0.81347611 0.47196521 0.93521311 0.93847611 0.53311499 0.58757851 0.79596763 0.66643471 0.93521311 0.93847611 0.28843157 0.81021311 0.81347611 0.34966085 0.51917289 0.19038981 0.69729279 0.81021305 0.81347605 0.59426481 0.93521311 0.93847611 0.41081541 0.71830282 0.14827112 0.74212803 0.43287286 0.72674917 0.82251006 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 0.03877384 0.05753890 0.63343862 0.18521311 0.18847611 0.28843157 0.06021311 0.06347611 0.34966085 0.58634706 0.51236837 0.55494141 0.06021311 0.06347611 0.59426479 0.18521311 0.18847611 0.41081541 0.06021311 0.31347611 0.47196521 0.18521311 0.43847611 0.53311499 0.88551479 0.90333098 0.61994184 0.18521311 0.43847611 0.28843157 0.06021311 0.31347611 0.34966085 0.39056179 0.79693233 0.79313684 0.06021311 0.31347611 0.59426479 0.18521311 0.43847611 0.41081541 0.06021311 0.56347611 0.47196521 0.18521311 0.68847611 0.53311499 0.07905366 0.42575207 0.78612570 0.18521311 0.68847611 0.28843157 0.06021311 0.56347611 0.34966085 0.41020553 0.71926592 0.77153774 0.06021311 0.56347611 0.59426479 0.18521311 0.68847611 0.41081541 0.06021311 0.81347611 0.47196521 0.18521311 0.93847611 0.53311499 0.15870790 0.85091745 0.61328823 0.18521311 0.93847611 0.28843157 0.06021311 0.81347611 0.34966085 0.38291932 0.58835455 0.56197833 0.06021311 0.81347611 0.59426479 0.18521311 0.93847611 0.41081541 0.31021311 0.06347611 0.47196521 0.43521311 0.18847611 0.53311499 0.70148211 0.25864440 0.65329470 0.43521311 0.18847611 0.28843157 0.31021311 0.06347611 0.34966085 0.66982124 0.21822851 0.90496976 0.31021311 0.06347611 0.59426479 0.43521311 0.18847611 0.41081541 0.31021311 0.31347611 0.47196521 0.43521311 0.43847611 0.53311499 0.55287524 0.89230318 0.66039474 0.43521311 0.43847611 0.28843157 0.31021311 0.31347611 0.34966085 0.69194148 0.30250430 0.97009165 0.31021305 0.31347608 0.59426476 0.43521311 0.43847611 0.41081541 0.31021311 0.56347611 0.47196521 0.43521311 0.68847611 0.53311499 0.48963553 0.27338508 0.52088245 0.43521311 0.68847611 0.28843157 0.31021311 0.56347611 0.34966085 0.86926805 0.39685139 0.85678811 0.31021443 0.56347615 0.59426543 0.43521311 0.68847611 0.41081541 0.31021311 0.81347611 0.47196521 0.43521311 0.93847611 0.53311499 0.63234645 0.53055971 0.50351458 0.43521311 0.93847611 0.28843157 0.31021311 0.81347611 0.34966085 0.57163442 0.86760517 0.82067839 0.31021317 0.81347605 0.59426481 0.43521311 0.93847611 0.41081541 0.56021311 0.06347611 0.47196521 0.68521311 0.18847611 0.53311499 0.28474209 0.31338215 0.71311638 0.68521311 0.18847611 0.28843157 0.56021311 0.06347611 0.34966085 0.68210765 0.97884316 0.87319028 0.56021311 0.06347611 0.59426479 0.68521311 0.18847611 0.41081541 0.56021311 0.31347611 0.47196521 0.68521311 0.43847611 0.53311499 0.29684066 0.16797774 0.57698864 0.68521311 0.43847611 0.28843157 0.56021311 0.31347611 0.34966085 0.15550906 0.09618157 0.70840388 0.56021310 0.31347741 0.59426539 0.68521311 0.43847611 0.41081541 0.56021311 0.56347611 0.47196521 0.68521311 0.68847611 0.53311499 0.45644145 0.16960062 0.64797262 0.68521311 0.68847611 0.28843157 0.56021311 0.56347611 0.34966085 0.98872694 0.22810090 0.65630297 0.56021309 0.56347621 0.59426622 0.68521311 0.68847611 0.41081541 0.56021311 0.81347611 0.47196521 0.68521311 0.93847611 0.53311499 0.44723353 0.79902971 0.63571191 0.68521311 0.93847611 0.28843157 0.56021311 0.81347611 0.34966085 0.55399139 0.09879462 0.68360212 0.56021310 0.81347478 0.59426545 0.68521311 0.93847611 0.41081541 0.81021311 0.06347611 0.47196521 0.93521311 0.18847611 0.53311499 0.79706981 0.28402864 0.58567974 0.93521311 0.18847611 0.28843157 0.81021311 0.06347611 0.34966085 0.70978067 0.32669187 0.91190654 0.81021311 0.06347611 0.59426479 0.93521311 0.18847611 0.41081541 0.81021311 0.31347611 0.47196521 0.93521311 0.43847611 0.53311499 0.04775277 0.80351740 0.50067529 0.93521311 0.43847611 0.28843157 0.81021311 0.31347611 0.34966085 0.98152142 0.27786192 0.99369510 0.81021318 0.31347607 0.59426475 0.93521311 0.43847611 0.41081541 0.81021311 0.56347611 0.47196521 0.93521311 0.68847611 0.53311499 0.96471890 0.33381893 0.75386219 0.93521311 0.68847611 0.28843157 0.81021311 0.56347611 0.34966085 0.17695967 0.56534801 0.69020469 0.81021180 0.56347616 0.59426542 0.93521311 0.68847611 0.41081541 0.81021311 0.81347611 0.47196521 0.93521311 0.93847611 0.53311499 0.58757851 0.79596763 0.66643471 0.93521311 0.93847611 0.28843157 0.81021311 0.81347611 0.34966085 0.51917289 0.19038981 0.69729279 0.81021305 0.81347605 0.59426481 0.93521311 0.93847611 0.41081541 0.71830282 0.14827112 0.74212803 0.43287286 0.72674917 0.82251006 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 605543.97726992 -705801.98667661 2178.33224498 92699.30925546 -99489.52583102 -0.00515232 7739.12852568 104638.73996969 9834.70255097 9834.70770329 9834.70426841 845.76727406 845.78863062 845.77439291 -184.28322608 -184.15715042 -184.24120086 -286.99039729 -286.88751381 -286.95610279 -310.72054974 -310.63729196 -310.69279715 -12968.24520758 -12968.24447321 -12968.24496279 -3165.71121842 -3165.70184475 -3165.70809386 -2998.46627461 -2998.48161242 -2998.47138721 -5718.91072161 -5718.87542977 -5718.89895766 -3009.12983620 -3009.11785321 -3009.12584187 -1928.79139501 -1928.78539361 -1928.78939454 -9.38905237 -9.41592464 -9.39800979 -79.45228774 -79.40861541 -79.43773029 -338.91049889 -338.93444528 -338.91848102 -1210.94669024 -1210.92900690 -1210.94079579 -162.42001104 -162.40016199 -162.41339469 -132.20059361 -132.20995424 -132.20371382 42.62112823 42.64341139 42.62855595 85.15145447 85.19542798 85.16611231 117.44072573 117.55221439 117.47788861 115.89473404 115.89088573 115.89345127 146.39849338 146.46190086 146.41962921 175.16940563 175.17583746 175.17154958 179.46161729 179.53850501 179.48724653 142.41872591 142.48890269 142.44211817 147.28993362 147.30441460 147.29476062 127.61399972 127.62154261 127.61651401 161.84500876 161.93439701 161.87480484 197.20537552 197.34916025 197.25330376 199.23265579 199.19548721 199.22026626 184.20110808 184.20113026 184.20111547 180.29342530 180.30047768 180.29577609 186.57904045 186.60106109 186.58638067 208.44750731 208.76930962 208.55477475 202.87594098 202.89064492 202.88084230 221.64418670 221.82048701 221.70295347 216.50575431 216.73647098 216.58265987 235.39454986 235.45463943 235.41457971 208.60547660 208.66007435 208.62367585 227.46761170 227.54756650 227.49426330 215.62294512 215.76535214 215.67041413 240.12744893 240.07482896 240.10990894 170.82548619 171.18054197 170.94383812 -1392.11017606 -1392.25926826 -1392.15987346 -37366.39075624 -37366.12850936 -37366.30334062