iterations/neb3_max1_image03_iter24_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421156667054E+04 0.42116E+04 -0.25377E+05 9008 0.103E+03
DAV: 2 -0.106643778449E+03 -0.43182E+04 -0.39213E+04 11024 0.248E+02
DAV: 3 -0.427589647746E+03 -0.32095E+03 -0.30000E+03 10248 0.654E+01
DAV: 4 -0.436015046710E+03 -0.84254E+01 -0.83336E+01 10816 0.106E+01
DAV: 5 -0.436294315718E+03 -0.27927E+00 -0.27862E+00 11168 0.189E+00 0.994E+01
RMM: 6 -0.385647941386E+03 0.50646E+02 -0.11065E+02 9700 0.144E+01 0.710E+01
RMM: 7 -0.591898463208E+03 -0.20625E+03 -0.21700E+02 10428 0.157E+01 0.110E+02
RMM: 8 -0.543507093771E+03 0.48391E+02 -0.12553E+02 10385 0.119E+01 0.943E+01
RMM: 9 -0.382995666764E+03 0.16051E+03 -0.58508E+01 10300 0.944E+00 0.366E+01
RMM: 10 -0.388594486826E+03 -0.55988E+01 -0.24163E+01 9964 0.646E+00 0.380E+01
RMM: 11 -0.376914001154E+03 0.11680E+02 -0.96576E+00 9932 0.417E+00 0.172E+01
RMM: 12 -0.378322920042E+03 -0.14089E+01 -0.20820E+00 10069 0.191E+00 0.116E+01
RMM: 13 -0.379636307181E+03 -0.13134E+01 -0.92881E-01 10356 0.119E+00 0.101E+01
RMM: 14 -0.381772497895E+03 -0.21362E+01 -0.55196E-01 10239 0.930E-01 0.928E+00
RMM: 15 -0.386606861594E+03 -0.48344E+01 -0.64538E-01 10558 0.101E+00 0.836E+00
RMM: 16 -0.389272527241E+03 -0.26657E+01 -0.59926E-01 10805 0.959E-01 0.693E+00
RMM: 17 -0.394098155423E+03 -0.48256E+01 -0.14394E+00 11804 0.129E+00 0.606E+00
RMM: 18 -0.398300174764E+03 -0.42020E+01 -0.14367E+00 12046 0.127E+00 0.533E+00
RMM: 19 -0.404340358053E+03 -0.60402E+01 -0.25458E+00 12797 0.153E+00 0.596E+00
RMM: 20 -0.406787333623E+03 -0.24470E+01 -0.75253E-01 11615 0.846E-01 0.516E+00
RMM: 21 -0.410048393260E+03 -0.32611E+01 -0.13792E+00 12341 0.104E+00 0.562E+00
RMM: 22 -0.411748217577E+03 -0.16998E+01 -0.51230E-01 11419 0.631E-01 0.680E+00
RMM: 23 -0.411550579665E+03 0.19764E+00 -0.27244E-02 10520 0.205E-01 0.698E+00
RMM: 24 -0.411179385678E+03 0.37119E+00 -0.91396E-03 10446 0.108E-01 0.577E+00
RMM: 25 -0.411604210536E+03 -0.42482E+00 -0.14406E-02 10762 0.136E-01 0.593E+00
RMM: 26 -0.411497765190E+03 0.10645E+00 -0.11433E-02 10768 0.127E-01 0.762E+00
RMM: 27 -0.410693085459E+03 0.80468E+00 -0.62043E-02 13056 0.288E-01 0.781E+00
RMM: 28 -0.409859253088E+03 0.83383E+00 -0.21581E-01 15434 0.532E-01 0.707E+00
RMM: 29 -0.410444300997E+03 -0.58505E+00 -0.32042E-01 15939 0.616E-01 0.806E+00
RMM: 30 -0.410225973547E+03 0.21833E+00 -0.48738E-02 12451 0.236E-01 0.848E+00
RMM: 31 -0.411959992833E+03 -0.17340E+01 -0.10091E+00 16900 0.106E+00 0.942E+00
RMM: 32 -0.412150936731E+03 -0.19094E+00 -0.23379E-01 15702 0.500E-01 0.731E+00
RMM: 33 -0.413884378786E+03 -0.17334E+01 -0.69549E-01 16940 0.811E-01 0.541E+00
RMM: 34 -0.414765700742E+03 -0.88132E+00 -0.16382E-01 15174 0.453E-01 0.434E+00
RMM: 35 -0.415145790378E+03 -0.38009E+00 -0.20279E-02 11491 0.167E-01 0.383E+00
RMM: 36 -0.415281433852E+03 -0.13564E+00 -0.11459E-02 11105 0.125E-01 0.371E+00
RMM: 37 -0.415553390771E+03 -0.27196E+00 -0.32791E-02 12801 0.208E-01 0.367E+00
RMM: 38 -0.415650825471E+03 -0.97435E-01 -0.43072E-02 13266 0.245E-01 0.373E+00
RMM: 39 -0.415693159710E+03 -0.42334E-01 -0.13859E-01 14312 0.358E-01 0.414E+00
RMM: 40 -0.415516690014E+03 0.17647E+00 -0.87580E-02 12829 0.244E-01 0.481E+00
RMM: 41 -0.415337770582E+03 0.17892E+00 -0.44624E-02 10991 0.156E-01 0.422E+00
RMM: 42 -0.415107044424E+03 0.23073E+00 -0.90670E-02 11532 0.213E-01 0.434E+00
RMM: 43 -0.415007461831E+03 0.99583E-01 -0.31891E-02 10973 0.125E-01 0.470E+00
RMM: 44 -0.415128826262E+03 -0.12136E+00 -0.27866E-02 10919 0.107E-01 0.524E+00
RMM: 45 -0.414928250379E+03 0.20058E+00 -0.75868E-03 11553 0.924E-02 0.442E+00
RMM: 46 -0.415156566221E+03 -0.22832E+00 -0.84426E-02 13432 0.210E-01 0.494E+00
RMM: 47 -0.415153374965E+03 0.31913E-02 -0.11724E-03 10576 0.461E-02 0.494E+00
RMM: 48 -0.415177518172E+03 -0.24143E-01 -0.20197E-03 10270 0.324E-02 0.495E+00
RMM: 49 -0.415104888193E+03 0.72630E-01 -0.13533E-02 10950 0.671E-02 0.497E+00
RMM: 50 -0.414108371091E+03 0.99652E+00 -0.12105E+00 16806 0.692E-01 0.554E+00
RMM: 51 -0.413649868510E+03 0.45850E+00 -0.13759E-01 17132 0.309E-01 0.504E+00
RMM: 52 -0.414561079304E+03 -0.91121E+00 -0.97417E-01 16822 0.569E-01 0.470E+00
RMM: 53 -0.414807096881E+03 -0.24602E+00 -0.12098E-01 15551 0.192E-01 0.463E+00
RMM: 54 -0.415001577874E+03 -0.19448E+00 -0.52126E-02 14783 0.127E-01 0.451E+00
RMM: 55 -0.415050455986E+03 -0.48878E-01 -0.78462E-04 10446 0.225E-02 0.449E+00
RMM: 56 -0.414972583050E+03 0.77873E-01 -0.59721E-02 15942 0.151E-01 0.459E+00
RMM: 57 -0.415190702116E+03 -0.21812E+00 -0.65594E-02 16858 0.162E-01 0.461E+00
RMM: 58 -0.415583713795E+03 -0.39301E+00 -0.29000E-01 17484 0.294E-01 0.445E+00
RMM: 59 -0.415254089886E+03 0.32962E+00 -0.21524E-01 17412 0.281E-01 0.477E+00
RMM: 60 -0.414713184166E+03 0.54091E+00 -0.20840E-01 17589 0.276E-01 0.533E+00
RMM: 61 -0.412349776675E+03 0.23634E+01 -0.38116E+00 17700 0.107E+00 0.647E+00
RMM: 62 -0.412445751000E+03 -0.95974E-01 -0.11683E-01 16035 0.203E-01 0.683E+00
RMM: 63 -0.412069965701E+03 0.37579E+00 -0.55806E-02 14554 0.144E-01 0.709E+00
RMM: 64 -0.412132866076E+03 -0.62900E-01 -0.23815E-03 10243 0.368E-02 0.707E+00
RMM: 65 -0.412132368648E+03 0.49743E-03 -0.30976E-05 6974 0.904E-03 0.708E+00
RMM: 66 -0.415893442827E+03 -0.37611E+01 -0.90107E+00 17920 0.130E+00 0.601E+00
RMM: 67 -0.415843353742E+03 0.50089E-01 -0.14742E-01 17267 0.251E-01 0.654E+00
RMM: 68 -0.415745469909E+03 0.97884E-01 -0.10152E-02 14542 0.735E-02 0.661E+00
RMM: 69 -0.415421939133E+03 0.32353E+00 -0.10454E-01 17444 0.200E-01 0.704E+00
RMM: 70 -0.415306907258E+03 0.11503E+00 -0.32528E-02 14875 0.105E-01 0.721E+00
RMM: 71 -0.416516478337E+03 -0.12096E+01 -0.43870E+00 17920 0.118E+00 0.910E+00
RMM: 72 -0.415578350488E+03 0.93813E+00 -0.18367E+00 17920 0.787E-01 0.629E+00
RMM: 73 -0.413341978855E+03 0.22364E+01 -0.49805E+00 17920 0.132E+00 0.680E+00
RMM: 74 -0.410149211083E+03 0.31928E+01 -0.21069E+00 17894 0.940E-01 0.829E+00
RMM: 75 -0.409705999330E+03 0.44321E+00 -0.41645E-02 16625 0.165E-01 0.884E+00
RMM: 76 -0.410517636018E+03 -0.81164E+00 -0.10895E-01 17008 0.221E-01 0.825E+00
RMM: 77 -0.410177290889E+03 0.34035E+00 -0.29139E-02 16295 0.124E-01 0.850E+00
RMM: 78 -0.409994740085E+03 0.18255E+00 -0.64071E-03 13390 0.607E-02 0.864E+00
RMM: 79 -0.410041342452E+03 -0.46602E-01 -0.44882E-03 13535 0.540E-02 0.877E+00
RMM: 80 -0.410141298118E+03 -0.99956E-01 -0.11545E-02 13976 0.754E-02 0.913E+00
RMM: 81 -0.410494726670E+03 -0.35343E+00 -0.33551E-01 17608 0.388E-01 0.818E+00
RMM: 82 -0.411361862323E+03 -0.86714E+00 -0.23745E-01 17549 0.298E-01 0.884E+00
RMM: 83 -0.412287228318E+03 -0.92537E+00 -0.11784E-01 17569 0.237E-01 0.843E+00
RMM: 84 -0.412793940905E+03 -0.50671E+00 -0.29883E-02 17255 0.140E-01 0.757E+00
RMM: 85 -0.412934358299E+03 -0.14042E+00 -0.12514E-02 16708 0.110E-01 0.744E+00
RMM: 86 -0.414860445798E+03 -0.19261E+01 -0.16378E+00 17700 0.662E-01 0.542E+00
RMM: 87 -0.415001591512E+03 -0.14115E+00 -0.40193E-02 17260 0.140E-01 0.548E+00
RMM: 88 -0.415270994233E+03 -0.26940E+00 -0.64263E-02 16657 0.158E-01 0.534E+00
RMM: 89 -0.414658443425E+03 0.61255E+00 -0.33947E-01 17480 0.366E-01 0.580E+00
RMM: 90 -0.414892539162E+03 -0.23410E+00 -0.27447E-02 16011 0.122E-01 0.578E+00
RMM: 91 -0.415478723576E+03 -0.58618E+00 -0.18327E-01 17232 0.231E-01 0.638E+00
RMM: 92 -0.415652967489E+03 -0.17424E+00 -0.25006E-02 16320 0.139E-01 0.579E+00
RMM: 93 -0.415663953518E+03 -0.10986E-01 -0.27169E-02 16468 0.992E-02 0.581E+00
RMM: 94 -0.415985407382E+03 -0.32145E+00 -0.88145E-02 15146 0.153E-01 0.577E+00
RMM: 95 -0.416464173121E+03 -0.47877E+00 -0.31562E-01 15476 0.265E-01 0.525E+00
RMM: 96 -0.415323053644E+03 0.11411E+01 -0.15270E+00 17629 0.710E-01 0.520E+00
RMM: 97 -0.415083516378E+03 0.23954E+00 -0.14414E-01 15970 0.259E-01 0.537E+00
RMM: 98 -0.415521626058E+03 -0.43811E+00 -0.20034E-01 14602 0.266E-01 0.511E+00
RMM: 99 -0.416133443262E+03 -0.61182E+00 -0.54215E-01 17110 0.369E-01 0.508E+00
RMM: 100 -0.416173263153E+03 -0.39820E-01 -0.40218E-02 15526 0.116E-01 0.533E+00
RMM: 101 -0.416094537972E+03 0.78725E-01 -0.12173E-02 15556 0.790E-02 0.573E+00
RMM: 102 -0.416188632112E+03 -0.94094E-01 -0.23343E-02 15657 0.105E-01 0.568E+00
RMM: 103 -0.416470350838E+03 -0.28172E+00 -0.14526E-01 15936 0.192E-01 0.553E+00
RMM: 104 -0.416452532716E+03 0.17818E-01 -0.11798E-03 10612 0.328E-02 0.555E+00
RMM: 105 -0.416347330024E+03 0.10520E+00 -0.33701E-02 15802 0.115E-01 0.581E+00
RMM: 106 -0.415764882425E+03 0.58245E+00 -0.33446E-01 16600 0.324E-01 0.647E+00
RMM: 107 -0.415756594799E+03 0.82876E-02 -0.81400E-04 9026 0.201E-02 0.648E+00
RMM: 108 -0.415844458353E+03 -0.87864E-01 -0.14615E-02 14231 0.677E-02 0.639E+00
RMM: 109 -0.415837452539E+03 0.70058E-02 -0.23929E-04 7919 0.123E-02 0.640E+00
RMM: 110 -0.415870460433E+03 -0.33008E-01 -0.22163E-03 9831 0.287E-02 0.637E+00
RMM: 111 -0.416425422353E+03 -0.55496E+00 -0.65412E-01 17768 0.428E-01 0.600E+00
RMM: 112 -0.415906192418E+03 0.51923E+00 -0.35630E-01 17576 0.340E-01 0.637E+00
RMM: 113 -0.415786174798E+03 0.12002E+00 -0.13612E-02 14772 0.731E-02 0.643E+00
RMM: 114 -0.415780190091E+03 0.59847E-02 -0.55059E-05 7486 0.818E-03 0.642E+00
RMM: 115 -0.415724112359E+03 0.56078E-01 -0.13031E-02 13276 0.788E-02 0.643E+00
RMM: 116 -0.416977245903E+03 -0.12531E+01 -0.49305E+00 17920 0.109E+00 0.676E+00
RMM: 117 -0.416984537069E+03 -0.72912E-02 -0.32081E-01 17850 0.311E-01 0.440E+00
RMM: 118 -0.417140382623E+03 -0.15585E+00 -0.24550E-01 17818 0.251E-01 0.280E+00
RMM: 119 -0.417126366463E+03 0.14016E-01 -0.83121E-03 16486 0.766E-02 0.253E+00
RMM: 120 -0.417134992735E+03 -0.86263E-02 -0.14200E-02 17399 0.931E-02 0.215E+00
RMM: 121 -0.417153575646E+03 -0.18583E-01 -0.69914E-03 16879 0.716E-02 0.218E+00
RMM: 122 -0.417190008024E+03 -0.36432E-01 -0.63481E-03 15631 0.561E-02 0.201E+00
RMM: 123 -0.417211954352E+03 -0.21946E-01 -0.16188E-03 13727 0.336E-02 0.202E+00
RMM: 124 -0.417240968225E+03 -0.29014E-01 -0.17543E-03 13715 0.316E-02 0.206E+00
RMM: 125 -0.417270076154E+03 -0.29108E-01 -0.20993E-02 15598 0.770E-02 0.251E+00
RMM: 126 -0.417309731651E+03 -0.39655E-01 -0.15133E-02 16381 0.801E-02 0.314E+00
RMM: 127 -0.417306307529E+03 0.34241E-02 -0.10556E-03 13835 0.320E-02 0.315E+00
RMM: 128 -0.417320677439E+03 -0.14370E-01 -0.18579E-03 14225 0.332E-02 0.322E+00
RMM: 129 -0.417340565393E+03 -0.19888E-01 -0.44710E-03 14975 0.459E-02 0.337E+00
RMM: 130 -0.417342692604E+03 -0.21272E-02 -0.40606E-05 7390 0.696E-03 0.337E+00
RMM: 131 -0.417357443232E+03 -0.14751E-01 -0.11489E-02 15402 0.609E-02 0.338E+00
RMM: 132 -0.417338348563E+03 0.19095E-01 -0.20564E-03 13768 0.344E-02 0.349E+00
RMM: 133 -0.417334860497E+03 0.34881E-02 -0.18132E-04 8856 0.110E-02 0.348E+00
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RMM: 136 -0.417345132140E+03 -0.93447E-02 -0.80431E-02 17505 0.144E-01 0.432E+00
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RMM: 161 -0.417514410647E+03 0.83622E-02 -0.54286E-04 12066 0.215E-02 0.431E-01
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RMM: 163 -0.417523955315E+03 -0.78115E-02 -0.56067E-05 8304 0.853E-03 0.403E-01
RMM: 164 -0.417526887998E+03 -0.29327E-02 -0.28209E-05 7207 0.582E-03 0.386E-01
RMM: 165 -0.417534603412E+03 -0.77154E-02 -0.93094E-05 8773 0.936E-03 0.355E-01
RMM: 166 -0.417548901536E+03 -0.14298E-01 -0.20823E-04 11124 0.144E-02 0.286E-01
RMM: 167 -0.417557881441E+03 -0.89799E-02 -0.11100E-04 10369 0.117E-02 0.267E-01
RMM: 168 -0.417596867738E+03 -0.38986E-01 -0.53600E-04 12242 0.184E-02 0.171E-01
RMM: 169 -0.417627127539E+03 -0.30260E-01 -0.31416E-04 11637 0.157E-02 0.107E-01
RMM: 170 -0.417659894563E+03 -0.32767E-01 -0.23045E-04 10978 0.143E-02 0.101E-01
RMM: 171 -0.417680618898E+03 -0.20724E-01 -0.21886E-04 11024 0.142E-02 0.891E-02
RMM: 172 -0.417693862659E+03 -0.13244E-01 -0.18936E-04 10340 0.115E-02 0.611E-02
RMM: 173 -0.417700015363E+03 -0.61527E-02 -0.17207E-04 9945 0.104E-02 0.581E-02
RMM: 174 -0.417701222146E+03 -0.12068E-02 -0.59165E-05 8150 0.723E-03 0.529E-02
RMM: 175 -0.417702940275E+03 -0.17181E-02 -0.72316E-05 8834 0.739E-03 0.941E-02
RMM: 176 -0.417702949894E+03 -0.96184E-05 -0.34434E-05 7597 0.547E-03
1 F= -.45531759E+03 E0= -.45531791E+03 d E =0.969998E-03 mag= -0.0348