iterations/neb1_max2_image01_iter19_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422227238244E+04 0.42223E+04 -0.25383E+05 8992 0.103E+03
DAV: 2 -0.103678083954E+03 -0.43260E+04 -0.39259E+04 10992 0.248E+02
DAV: 3 -0.427123281570E+03 -0.32345E+03 -0.30198E+03 10224 0.656E+01
DAV: 4 -0.435631237823E+03 -0.85080E+01 -0.84042E+01 10800 0.107E+01
DAV: 5 -0.435927810789E+03 -0.29657E+00 -0.29577E+00 11072 0.195E+00 0.986E+01
RMM: 6 -0.389834842206E+03 0.46093E+02 -0.11174E+02 9704 0.146E+01 0.734E+01
RMM: 7 -0.811515173100E+03 -0.42168E+03 -0.44560E+02 11330 0.193E+01 0.151E+02
RMM: 8 -0.492866973669E+03 0.31865E+03 -0.10707E+02 9960 0.110E+01 0.905E+01
RMM: 9 -0.428209174328E+03 0.64658E+02 -0.65618E+01 10165 0.105E+01 0.616E+01
RMM: 10 -0.373351782125E+03 0.54857E+02 -0.37508E+01 10312 0.789E+00 0.285E+01
RMM: 11 -0.386109699140E+03 -0.12758E+02 -0.17542E+01 10418 0.474E+00 0.415E+01
RMM: 12 -0.373545773617E+03 0.12564E+02 -0.47131E+00 9948 0.302E+00 0.240E+01
RMM: 13 -0.371728099050E+03 0.18177E+01 -0.19488E+00 10194 0.197E+00 0.150E+01
RMM: 14 -0.374854983768E+03 -0.31269E+01 -0.12296E+00 10214 0.147E+00 0.125E+01
RMM: 15 -0.381801549645E+03 -0.69466E+01 -0.15801E+00 10658 0.164E+00 0.150E+01
RMM: 16 -0.386560425045E+03 -0.47589E+01 -0.21759E+00 11070 0.180E+00 0.127E+01
RMM: 17 -0.389077406003E+03 -0.25170E+01 -0.12716E+00 10714 0.136E+00 0.863E+00
RMM: 18 -0.392845747023E+03 -0.37683E+01 -0.92208E-01 10759 0.116E+00 0.805E+00
RMM: 19 -0.395246721504E+03 -0.24010E+01 -0.63179E-01 10716 0.966E-01 0.695E+00
RMM: 20 -0.397692590151E+03 -0.24459E+01 -0.58338E-01 11137 0.851E-01 0.640E+00
RMM: 21 -0.399636649129E+03 -0.19441E+01 -0.45425E-01 11130 0.746E-01 0.615E+00
RMM: 22 -0.402322273928E+03 -0.26856E+01 -0.85401E-01 11963 0.956E-01 0.705E+00
RMM: 23 -0.406255026256E+03 -0.39328E+01 -0.20925E+00 13055 0.128E+00 0.542E+00
RMM: 24 -0.409608322164E+03 -0.33533E+01 -0.11498E+00 12468 0.948E-01 0.497E+00
RMM: 25 -0.411101164495E+03 -0.14928E+01 -0.14435E-01 10829 0.382E-01 0.490E+00
RMM: 26 -0.411387565269E+03 -0.28640E+00 -0.17295E-02 10904 0.125E-01 0.489E+00
RMM: 27 -0.411401167858E+03 -0.13603E-01 -0.32621E-03 11540 0.522E-02 0.489E+00
RMM: 28 -0.411420899838E+03 -0.19732E-01 -0.59799E-04 10755 0.239E-02 0.490E+00
RMM: 29 -0.411230351483E+03 0.19055E+00 -0.69974E-02 16906 0.332E-01 0.469E+00
RMM: 30 -0.411136526906E+03 0.93825E-01 -0.11206E-01 17673 0.412E-01 0.507E+00
RMM: 31 -0.410754052688E+03 0.38247E+00 -0.73529E-02 17053 0.342E-01 0.612E+00
RMM: 32 -0.411334415626E+03 -0.58036E+00 -0.46203E-02 16218 0.277E-01 0.530E+00
RMM: 33 -0.412739129839E+03 -0.14047E+01 -0.61758E-01 17909 0.835E-01 0.556E+00
RMM: 34 -0.414029862326E+03 -0.12907E+01 -0.50605E-01 17907 0.675E-01 0.903E+00
RMM: 35 -0.414353391001E+03 -0.32353E+00 -0.29803E-02 15209 0.197E-01 0.952E+00
RMM: 36 -0.414083330508E+03 0.27006E+00 -0.10879E-03 10998 0.408E-02 0.953E+00
RMM: 37 -0.413617323666E+03 0.46601E+00 -0.31927E-02 16117 0.155E-01 0.625E+00
RMM: 38 -0.414401831718E+03 -0.78451E+00 -0.61804E-03 12834 0.952E-02 0.707E+00
RMM: 39 -0.414320892438E+03 0.80939E-01 -0.14916E-01 17873 0.437E-01 0.421E+00
RMM: 40 -0.414760096319E+03 -0.43920E+00 -0.19483E-02 16000 0.167E-01 0.798E+00
RMM: 41 -0.414083566329E+03 0.67653E+00 -0.70247E-03 13369 0.119E-01 0.596E+00
RMM: 42 -0.414797792094E+03 -0.71423E+00 -0.88852E-02 17551 0.341E-01 0.300E+00
RMM: 43 -0.415510334760E+03 -0.71254E+00 -0.17878E-02 16100 0.168E-01 0.265E+00
RMM: 44 -0.415586738838E+03 -0.76404E-01 -0.81741E-03 14834 0.107E-01 0.215E+00
RMM: 45 -0.415698653188E+03 -0.11191E+00 -0.49922E-03 13905 0.838E-02 0.186E+00
RMM: 46 -0.415853465689E+03 -0.15481E+00 -0.59366E-03 14142 0.873E-02 0.169E+00
RMM: 47 -0.415956472159E+03 -0.10301E+00 -0.94807E-03 14915 0.106E-01 0.140E+00
RMM: 48 -0.416073337034E+03 -0.11686E+00 -0.12359E-02 15388 0.118E-01 0.127E+00
RMM: 49 -0.416178811882E+03 -0.10547E+00 -0.91254E-03 14573 0.995E-02 0.139E+00
RMM: 50 -0.416266976079E+03 -0.88164E-01 -0.11907E-02 14418 0.101E-01 0.162E+00
RMM: 51 -0.416326647768E+03 -0.59672E-01 -0.10896E-02 14012 0.957E-02 0.189E+00
RMM: 52 -0.416322019409E+03 0.46284E-02 -0.60755E-03 12869 0.679E-02 0.214E+00
RMM: 53 -0.416292897078E+03 0.29122E-01 -0.57089E-03 12619 0.622E-02 0.241E+00
RMM: 54 -0.416240426223E+03 0.52471E-01 -0.81596E-03 13083 0.701E-02 0.272E+00
RMM: 55 -0.416206052145E+03 0.34374E-01 -0.18884E-03 11368 0.349E-02 0.289E+00
RMM: 56 -0.416250829318E+03 -0.44777E-01 -0.34102E-03 11470 0.449E-02 0.265E+00
RMM: 57 -0.416354615769E+03 -0.10379E+00 -0.55332E-03 13136 0.613E-02 0.241E+00
RMM: 58 -0.416502510485E+03 -0.14789E+00 -0.21363E-02 14862 0.103E-01 0.183E+00
RMM: 59 -0.416535801000E+03 -0.33291E-01 -0.25651E-03 11826 0.378E-02 0.162E+00
RMM: 60 -0.416571293479E+03 -0.35492E-01 -0.27369E-03 12104 0.388E-02 0.140E+00
RMM: 61 -0.416633763217E+03 -0.62470E-01 -0.75772E-03 13964 0.662E-02 0.102E+00
RMM: 62 -0.416695813303E+03 -0.62050E-01 -0.80466E-03 14367 0.705E-02 0.697E-01
RMM: 63 -0.416743363751E+03 -0.47550E-01 -0.38539E-03 13908 0.540E-02 0.566E-01
RMM: 64 -0.416782560707E+03 -0.39197E-01 -0.17137E-03 12981 0.389E-02 0.554E-01
RMM: 65 -0.416814429406E+03 -0.31869E-01 -0.61324E-04 11675 0.234E-02 0.512E-01
RMM: 66 -0.416841128839E+03 -0.26699E-01 -0.62298E-04 11963 0.218E-02 0.476E-01
RMM: 67 -0.416863250140E+03 -0.22121E-01 -0.46939E-04 11332 0.192E-02 0.456E-01
RMM: 68 -0.416872489441E+03 -0.92393E-02 -0.26674E-04 10958 0.141E-02 0.435E-01
RMM: 69 -0.416875526355E+03 -0.30369E-02 -0.61050E-04 11934 0.197E-02 0.422E-01
RMM: 70 -0.416873765510E+03 0.17608E-02 -0.26392E-04 10791 0.130E-02 0.410E-01
RMM: 71 -0.416872298404E+03 0.14671E-02 -0.32535E-04 10843 0.135E-02 0.375E-01
RMM: 72 -0.416869705544E+03 0.25929E-02 -0.30653E-04 10944 0.130E-02 0.345E-01
RMM: 73 -0.416867964959E+03 0.17406E-02 -0.92245E-05 9304 0.750E-03 0.331E-01
RMM: 74 -0.416863804981E+03 0.41600E-02 -0.37467E-04 11424 0.132E-02 0.300E-01
RMM: 75 -0.416859373412E+03 0.44316E-02 -0.46040E-04 11614 0.146E-02 0.264E-01
RMM: 76 -0.416855353678E+03 0.40197E-02 -0.58009E-04 12033 0.163E-02 0.219E-01
RMM: 77 -0.416853510794E+03 0.18429E-02 -0.26254E-04 10636 0.111E-02 0.193E-01
RMM: 78 -0.416851059918E+03 0.24509E-02 -0.55579E-04 11882 0.157E-02 0.148E-01
RMM: 79 -0.416849825020E+03 0.12349E-02 -0.33859E-04 11048 0.125E-02 0.108E-01
RMM: 80 -0.416849413698E+03 0.41132E-03 -0.10361E-04 9005 0.742E-03 0.864E-02
RMM: 81 -0.416848484844E+03 0.92885E-03 -0.86608E-04 12974 0.194E-02 0.229E-02
RMM: 82 -0.416848577442E+03 -0.92598E-04 -0.39076E-05 7796 0.545E-03 0.128E-02
RMM: 83 -0.416848811020E+03 -0.23358E-03 -0.82209E-06 6486 0.284E-03 0.960E-03
RMM: 84 -0.416849046410E+03 -0.23539E-03 -0.99544E-06 6544 0.274E-03 0.113E-02
RMM: 85 -0.416849049745E+03 -0.33343E-05 -0.18227E-06 4330 0.143E-03
1 F= -.45454928E+03 E0= -.45454909E+03 d E =-.556368E-03 mag= -0.0022