iterations/neb1_max2_image01_iter24_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422396794647E+04 0.42240E+04 -0.25384E+05 8992 0.103E+03
DAV: 2 -0.103819198902E+03 -0.43278E+04 -0.39263E+04 10992 0.248E+02
DAV: 3 -0.427129520445E+03 -0.32331E+03 -0.30192E+03 10208 0.657E+01
DAV: 4 -0.435649301151E+03 -0.85198E+01 -0.84182E+01 10736 0.107E+01
DAV: 5 -0.435949414260E+03 -0.30011E+00 -0.29934E+00 11176 0.196E+00 0.993E+01
RMM: 6 -0.389503964622E+03 0.46445E+02 -0.11163E+02 9705 0.146E+01 0.733E+01
RMM: 7 -0.812765763416E+03 -0.42326E+03 -0.44650E+02 11341 0.194E+01 0.151E+02
RMM: 8 -0.496036132688E+03 0.31673E+03 -0.11403E+02 10019 0.112E+01 0.912E+01
RMM: 9 -0.421832772610E+03 0.74203E+02 -0.65753E+01 10172 0.105E+01 0.595E+01
RMM: 10 -0.382443409383E+03 0.39389E+02 -0.38913E+01 10296 0.817E+00 0.377E+01
RMM: 11 -0.387232464297E+03 -0.47891E+01 -0.22998E+01 10385 0.554E+00 0.456E+01
RMM: 12 -0.376874422340E+03 0.10358E+02 -0.65930E+00 10013 0.348E+00 0.311E+01
RMM: 13 -0.373507384059E+03 0.33670E+01 -0.36626E+00 10164 0.260E+00 0.225E+01
RMM: 14 -0.373275738980E+03 0.23165E+00 -0.15842E+00 10152 0.166E+00 0.139E+01
RMM: 15 -0.377740243663E+03 -0.44645E+01 -0.12052E+00 10359 0.142E+00 0.126E+01
RMM: 16 -0.382567548350E+03 -0.48273E+01 -0.13568E+00 10541 0.153E+00 0.120E+01
RMM: 17 -0.387532341127E+03 -0.49648E+01 -0.20626E+00 11211 0.174E+00 0.901E+00
RMM: 18 -0.391102382007E+03 -0.35700E+01 -0.10362E+00 10658 0.121E+00 0.663E+00
RMM: 19 -0.394002627306E+03 -0.29002E+01 -0.66483E-01 10685 0.992E-01 0.816E+00
RMM: 20 -0.397356093131E+03 -0.33535E+01 -0.10541E+00 11450 0.113E+00 0.923E+00
RMM: 21 -0.399261358597E+03 -0.19053E+01 -0.62653E-01 11200 0.840E-01 0.850E+00
RMM: 22 -0.401908647214E+03 -0.26473E+01 -0.95479E-01 11914 0.960E-01 0.736E+00
RMM: 23 -0.405467236588E+03 -0.35586E+01 -0.14381E+00 12576 0.112E+00 0.703E+00
RMM: 24 -0.406561473743E+03 -0.10942E+01 -0.21195E-01 11035 0.450E-01 0.626E+00
RMM: 25 -0.407044938177E+03 -0.48346E+00 -0.41986E-02 10468 0.201E-01 0.601E+00
RMM: 26 -0.407866912612E+03 -0.82197E+00 -0.85928E-02 11323 0.263E-01 0.589E+00
RMM: 27 -0.408278559409E+03 -0.41165E+00 -0.27266E-02 10699 0.160E-01 0.600E+00
RMM: 28 -0.407728182473E+03 0.55038E+00 -0.81073E-02 11619 0.294E-01 0.101E+01
RMM: 29 -0.406376363227E+03 0.13518E+01 -0.36748E-02 10716 0.199E-01 0.101E+01
RMM: 30 -0.405874166546E+03 0.50220E+00 -0.71778E-03 10444 0.999E-02 0.914E+00
RMM: 31 -0.406378118861E+03 -0.50395E+00 -0.17443E-01 15285 0.469E-01 0.960E+00
RMM: 32 -0.407928147207E+03 -0.15500E+01 -0.37650E-01 16776 0.674E-01 0.996E+00
RMM: 33 -0.407341127257E+03 0.58702E+00 -0.77657E-02 14464 0.342E-01 0.106E+01
RMM: 34 -0.409412908964E+03 -0.20718E+01 -0.21515E-01 15424 0.538E-01 0.973E+00
RMM: 35 -0.412231690937E+03 -0.28188E+01 -0.60208E-01 16575 0.726E-01 0.954E+00
RMM: 36 -0.414451720942E+03 -0.22200E+01 -0.56984E-01 16618 0.671E-01 0.982E+00
RMM: 37 -0.415048014414E+03 -0.59629E+00 -0.16693E-01 15431 0.404E-01 0.987E+00
RMM: 38 -0.415398660149E+03 -0.35065E+00 -0.10649E-01 14948 0.372E-01 0.931E+00
RMM: 39 -0.415445018243E+03 -0.46358E-01 -0.36212E-02 13214 0.225E-01 0.862E+00
RMM: 40 -0.415410392030E+03 0.34626E-01 -0.23740E-03 10395 0.614E-02 0.849E+00
RMM: 41 -0.415335593334E+03 0.74799E-01 -0.33141E-03 10643 0.721E-02 0.837E+00
RMM: 42 -0.415159194475E+03 0.17640E+00 -0.67659E-02 15958 0.292E-01 0.445E+00
RMM: 43 -0.415575910211E+03 -0.41672E+00 -0.15593E-02 13613 0.153E-01 0.403E+00
RMM: 44 -0.415710098092E+03 -0.13419E+00 -0.64636E-03 11612 0.907E-02 0.396E+00
RMM: 45 -0.415727335148E+03 -0.17237E-01 -0.18054E-02 12830 0.131E-01 0.387E+00
RMM: 46 -0.415664797756E+03 0.62537E-01 -0.23983E-02 13382 0.145E-01 0.377E+00
RMM: 47 -0.415619334608E+03 0.45463E-01 -0.12216E-02 12428 0.102E-01 0.369E+00
RMM: 48 -0.415582125960E+03 0.37209E-01 -0.21186E-02 13225 0.127E-01 0.306E+00
RMM: 49 -0.415645594725E+03 -0.63469E-01 -0.16691E-03 10585 0.523E-02 0.302E+00
RMM: 50 -0.415716974067E+03 -0.71379E-01 -0.95784E-04 10444 0.468E-02 0.301E+00
RMM: 51 -0.415703502328E+03 0.13472E-01 -0.51306E-03 13147 0.700E-02 0.438E+00
RMM: 52 -0.415644504230E+03 0.58998E-01 -0.44758E-03 12886 0.806E-02 0.445E+00
RMM: 53 -0.415725004518E+03 -0.80500E-01 -0.78987E-03 13988 0.914E-02 0.450E+00
RMM: 54 -0.415842340638E+03 -0.11734E+00 -0.78128E-03 13762 0.855E-02 0.451E+00
RMM: 55 -0.415952163248E+03 -0.10982E+00 -0.87713E-03 13737 0.836E-02 0.444E+00
RMM: 56 -0.416143233381E+03 -0.19107E+00 -0.19822E-02 15430 0.130E-01 0.425E+00
RMM: 57 -0.416193900001E+03 -0.50667E-01 -0.67916E-03 13695 0.736E-02 0.423E+00
RMM: 58 -0.416326902787E+03 -0.13300E+00 -0.11850E-02 14505 0.899E-02 0.426E+00
RMM: 59 -0.416551091710E+03 -0.22419E+00 -0.16509E-02 14857 0.101E-01 0.418E+00
RMM: 60 -0.416653695451E+03 -0.10260E+00 -0.43236E-03 12826 0.531E-02 0.418E+00
RMM: 61 -0.416766039312E+03 -0.11234E+00 -0.49986E-03 12970 0.555E-02 0.416E+00
RMM: 62 -0.416805228420E+03 -0.39189E-01 -0.70591E-04 11103 0.245E-02 0.415E+00
RMM: 63 -0.416821714440E+03 -0.16486E-01 -0.20172E-04 10061 0.132E-02 0.414E+00
RMM: 64 -0.416880919652E+03 -0.59205E-01 -0.12560E-03 12597 0.270E-02 0.412E+00
RMM: 65 -0.417165994163E+03 -0.28507E+00 -0.30789E-02 17015 0.127E-01 0.404E+00
RMM: 66 -0.417232413337E+03 -0.66419E-01 -0.22378E-03 14096 0.418E-02 0.402E+00
RMM: 67 -0.417229597174E+03 0.28162E-02 -0.61449E-05 8937 0.107E-02 0.403E+00
RMM: 68 -0.417227039773E+03 0.25574E-02 -0.84850E-05 8214 0.950E-03 0.404E+00
RMM: 69 -0.417247615664E+03 -0.20576E-01 -0.13659E-03 13796 0.355E-02 0.398E+00
RMM: 70 -0.417316152874E+03 -0.68537E-01 -0.26267E-03 15148 0.422E-02 0.394E+00
RMM: 71 -0.417973631339E+03 -0.65748E+00 -0.86268E-02 17791 0.220E-01 0.663E+00
RMM: 72 -0.417944767710E+03 0.28864E-01 -0.18593E-03 13873 0.804E-02 0.657E+00
RMM: 73 -0.417936892007E+03 0.78757E-02 -0.95409E-05 8472 0.175E-02 0.657E+00
RMM: 74 -0.417922098796E+03 0.14793E-01 -0.72585E-05 8087 0.979E-03 0.648E+00
RMM: 75 -0.417908850354E+03 0.13248E-01 -0.42019E-05 7338 0.631E-03 0.642E+00
RMM: 76 -0.417850446418E+03 0.58404E-01 -0.91885E-04 13328 0.367E-02 0.626E+00
RMM: 77 -0.417806999488E+03 0.43447E-01 -0.84919E-04 12732 0.321E-02 0.611E+00
RMM: 78 -0.417744889465E+03 0.62110E-01 -0.23675E-03 14002 0.449E-02 0.583E+00
RMM: 79 -0.417752610307E+03 -0.77208E-02 -0.15959E-03 13299 0.361E-02 0.585E+00
RMM: 80 -0.417795451020E+03 -0.42841E-01 -0.92003E-04 12295 0.249E-02 0.625E+00
RMM: 81 -0.417891629066E+03 -0.96178E-01 -0.55502E-03 16045 0.667E-02 0.763E+00
RMM: 82 -0.417879110365E+03 0.12519E-01 -0.61112E-04 11716 0.413E-02 0.744E+00
RMM: 83 -0.417857960863E+03 0.21150E-01 -0.43253E-04 11453 0.199E-02 0.732E+00
RMM: 84 -0.417765279485E+03 0.92681E-01 -0.10035E-03 13311 0.271E-02 0.635E+00
RMM: 85 -0.417716960024E+03 0.48319E-01 -0.56373E-04 12349 0.291E-02 0.587E+00
RMM: 86 -0.418297124763E+03 -0.58016E+00 -0.23516E-02 17163 0.112E-01 0.917E+00
RMM: 87 -0.418259952871E+03 0.37172E-01 -0.90004E-04 12028 0.581E-02 0.912E+00
RMM: 88 -0.418254023461E+03 0.59294E-02 -0.32650E-05 7373 0.112E-02 0.911E+00
RMM: 89 -0.418230154654E+03 0.23869E-01 -0.18324E-04 10027 0.139E-02 0.908E+00
RMM: 90 -0.418226885838E+03 0.32688E-02 -0.64724E-06 6439 0.342E-03 0.907E+00
RMM: 91 -0.417611570263E+03 0.61532E+00 -0.89004E-02 17760 0.225E-01 0.387E+00
RMM: 92 -0.417519452477E+03 0.92118E-01 -0.21191E-02 17276 0.143E-01 0.348E+00
RMM: 93 -0.417407366150E+03 0.11209E+00 -0.11368E-02 16385 0.893E-02 0.345E+00
RMM: 94 -0.417379792035E+03 0.27574E-01 -0.55490E-03 14732 0.649E-02 0.353E+00
RMM: 95 -0.417400762588E+03 -0.20971E-01 -0.21509E-03 13776 0.414E-02 0.361E+00
RMM: 96 -0.416270066591E+03 0.11307E+01 -0.58074E-01 17920 0.610E-01 0.698E+00
RMM: 97 -0.416306336583E+03 -0.36270E-01 -0.42501E-03 16107 0.687E-02 0.684E+00
RMM: 98 -0.416302753540E+03 0.35830E-02 -0.34232E-04 11625 0.176E-02 0.683E+00
RMM: 99 -0.416301248823E+03 0.15047E-02 -0.58775E-05 7538 0.763E-03 0.685E+00
RMM: 100 -0.416288032794E+03 0.13216E-01 -0.24739E-04 11018 0.146E-02 0.686E+00
RMM: 101 -0.416245281253E+03 0.42752E-01 -0.24530E-03 15439 0.424E-02 0.688E+00
RMM: 102 -0.416186289996E+03 0.58991E-01 -0.42560E-03 16403 0.568E-02 0.695E+00
RMM: 103 -0.416118345766E+03 0.67944E-01 -0.49536E-03 16143 0.557E-02 0.697E+00
RMM: 104 -0.415978449357E+03 0.13990E+00 -0.26077E-02 17716 0.122E-01 0.699E+00
RMM: 105 -0.415874854879E+03 0.10359E+00 -0.19511E-02 17585 0.104E-01 0.709E+00
RMM: 106 -0.416002106314E+03 -0.12725E+00 -0.15719E-02 17492 0.102E-01 0.696E+00
RMM: 107 -0.416012114249E+03 -0.10008E-01 -0.22582E-03 15479 0.465E-02 0.693E+00
RMM: 108 -0.415981084918E+03 0.31029E-01 -0.15752E-03 13476 0.286E-02 0.699E+00
RMM: 109 -0.415778468681E+03 0.20262E+00 -0.85630E-02 17876 0.201E-01 0.741E+00
RMM: 110 -0.415758689081E+03 0.19780E-01 -0.18823E-03 15188 0.346E-02 0.743E+00
RMM: 111 -0.416009493515E+03 -0.25080E+00 -0.86945E-02 17910 0.228E-01 0.767E+00
RMM: 112 -0.415837734219E+03 0.17176E+00 -0.73152E-02 17893 0.197E-01 0.789E+00
RMM: 113 -0.415871099995E+03 -0.33366E-01 -0.27684E-03 15010 0.488E-02 0.789E+00
RMM: 114 -0.415842088449E+03 0.29012E-01 -0.22515E-03 14623 0.362E-02 0.778E+00
RMM: 115 -0.415784514336E+03 0.57574E-01 -0.18351E-02 17339 0.965E-02 0.743E+00
RMM: 116 -0.415917471269E+03 -0.13296E+00 -0.78227E-02 17882 0.236E-01 0.573E+00
RMM: 117 -0.416045725274E+03 -0.12825E+00 -0.43827E-02 17753 0.141E-01 0.664E+00
RMM: 118 -0.416996526719E+03 -0.95080E+00 -0.89655E-01 17920 0.757E-01 0.359E+00
RMM: 119 -0.417077033663E+03 -0.80507E-01 -0.25788E-02 17731 0.143E-01 0.375E+00
RMM: 120 -0.417001641828E+03 0.75392E-01 -0.54228E-03 15956 0.616E-02 0.391E+00
RMM: 121 -0.417063028215E+03 -0.61386E-01 -0.27782E-02 17607 0.125E-01 0.390E+00
RMM: 122 -0.417132285346E+03 -0.69257E-01 -0.12206E-02 16952 0.762E-02 0.386E+00
RMM: 123 -0.417128811420E+03 0.34739E-02 -0.15700E-04 9351 0.116E-02 0.386E+00
RMM: 124 -0.417112906576E+03 0.15905E-01 -0.29873E-04 10011 0.122E-02 0.387E+00
RMM: 125 -0.417181045893E+03 -0.68139E-01 -0.33879E-03 14846 0.401E-02 0.379E+00
RMM: 126 -0.417295438380E+03 -0.11439E+00 -0.19132E-02 17132 0.115E-01 0.362E+00
RMM: 127 -0.417369255532E+03 -0.73817E-01 -0.61642E-03 16048 0.575E-02 0.358E+00
RMM: 128 -0.417323935875E+03 0.45320E-01 -0.18047E-03 13954 0.339E-02 0.360E+00
RMM: 129 -0.417311815693E+03 0.12120E-01 -0.56463E-04 11782 0.204E-02 0.360E+00
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RMM: 131 -0.417273006039E+03 0.22375E-01 -0.51614E-04 12706 0.243E-02 0.364E+00
RMM: 132 -0.417282177267E+03 -0.91712E-02 -0.20511E-04 11331 0.164E-02 0.361E+00
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RMM: 163 -0.416967468002E+03 -0.21664E-02 -0.58459E-05 8079 0.635E-03 0.229E-01
RMM: 164 -0.416977499675E+03 -0.10032E-01 -0.16906E-03 14185 0.281E-02 0.136E-01
RMM: 165 -0.416980362728E+03 -0.28631E-02 -0.34298E-04 11429 0.135E-02 0.947E-02
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RMM: 168 -0.416986870369E+03 -0.10163E-02 -0.11089E-05 6810 0.296E-03 0.574E-02
RMM: 169 -0.416987330533E+03 -0.46016E-03 -0.44381E-05 7729 0.482E-03 0.477E-02
RMM: 170 -0.416988209054E+03 -0.87852E-03 -0.49578E-05 8007 0.522E-03 0.363E-02
RMM: 171 -0.416988444683E+03 -0.23563E-03 -0.50522E-06 5905 0.211E-03 0.341E-02
RMM: 172 -0.416988644165E+03 -0.19948E-03 -0.12628E-05 6663 0.290E-03 0.315E-02
RMM: 173 -0.416988676649E+03 -0.32485E-04 -0.11835E-05 6278 0.270E-03 0.197E-02
RMM: 174 -0.416988751602E+03 -0.74953E-04 -0.42381E-06 5536 0.186E-03 0.173E-02
RMM: 175 -0.416988798021E+03 -0.46419E-04 -0.19351E-06 4520 0.133E-03 0.159E-02
RMM: 176 -0.416988817092E+03 -0.19071E-04 -0.16613E-06 3926 0.120E-03 0.145E-02
RMM: 177 -0.416988821615E+03 -0.45234E-05 -0.72977E-07 3348 0.997E-04
1 F= -.45468868E+03 E0= -.45468860E+03 d E =-.237717E-03 mag= -0.0014