iterations/neb2_max2_image01_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422489300405E+04 0.42249E+04 -0.25384E+05 8992 0.103E+03
DAV: 2 -0.103789079554E+03 -0.43287E+04 -0.39296E+04 11024 0.248E+02
DAV: 3 -0.426266225703E+03 -0.32248E+03 -0.30177E+03 10232 0.656E+01
DAV: 4 -0.434806671880E+03 -0.85404E+01 -0.84329E+01 10832 0.107E+01
DAV: 5 -0.435106935908E+03 -0.30026E+00 -0.29942E+00 11136 0.194E+00 0.993E+01
RMM: 6 -0.388412909737E+03 0.46694E+02 -0.11059E+02 9708 0.146E+01 0.735E+01
RMM: 7 -0.821581825915E+03 -0.43317E+03 -0.45719E+02 11377 0.196E+01 0.156E+02
RMM: 8 -0.495080077325E+03 0.32650E+03 -0.10790E+02 9969 0.110E+01 0.914E+01
RMM: 9 -0.435774394191E+03 0.59306E+02 -0.65907E+01 10172 0.105E+01 0.653E+01
RMM: 10 -0.372376994175E+03 0.63397E+02 -0.37051E+01 10328 0.786E+00 0.262E+01
RMM: 11 -0.381424994669E+03 -0.90480E+01 -0.16074E+01 10406 0.425E+00 0.407E+01
RMM: 12 -0.369943985655E+03 0.11481E+02 -0.42988E+00 9943 0.294E+00 0.187E+01
RMM: 13 -0.371315991773E+03 -0.13720E+01 -0.14678E+00 10128 0.171E+00 0.147E+01
RMM: 14 -0.373523608894E+03 -0.22076E+01 -0.78909E-01 10187 0.118E+00 0.109E+01
RMM: 15 -0.382765152528E+03 -0.92415E+01 -0.20710E+00 11500 0.185E+00 0.140E+01
RMM: 16 -0.387261056148E+03 -0.44959E+01 -0.18007E+00 11287 0.167E+00 0.126E+01
RMM: 17 -0.389175731588E+03 -0.19147E+01 -0.10863E+00 10796 0.123E+00 0.767E+00
RMM: 18 -0.392905633869E+03 -0.37299E+01 -0.69485E-01 10729 0.991E-01 0.728E+00
RMM: 19 -0.395221837560E+03 -0.23162E+01 -0.46542E-01 10763 0.825E-01 0.726E+00
RMM: 20 -0.397370562243E+03 -0.21487E+01 -0.52463E-01 11271 0.803E-01 0.719E+00
RMM: 21 -0.400615533268E+03 -0.32450E+01 -0.12145E+00 12290 0.108E+00 0.625E+00
RMM: 22 -0.405163682297E+03 -0.45481E+01 -0.18890E+00 12891 0.126E+00 0.553E+00
RMM: 23 -0.408190719368E+03 -0.30270E+01 -0.86454E-01 12133 0.880E-01 0.553E+00
RMM: 24 -0.410112599413E+03 -0.19219E+01 -0.47687E-01 11625 0.642E-01 0.506E+00
RMM: 25 -0.410964933677E+03 -0.85233E+00 -0.13596E-01 10888 0.346E-01 0.505E+00
RMM: 26 -0.411238565262E+03 -0.27363E+00 -0.31214E-02 10511 0.167E-01 0.509E+00
RMM: 27 -0.411284476351E+03 -0.45911E-01 -0.12540E-02 10172 0.134E-01 0.504E+00
RMM: 28 -0.411383596479E+03 -0.99120E-01 -0.75219E-02 12567 0.321E-01 0.595E+00
RMM: 29 -0.411796424350E+03 -0.41283E+00 -0.65583E-02 12447 0.311E-01 0.685E+00
RMM: 30 -0.411558318220E+03 0.23811E+00 -0.47379E-02 11506 0.288E-01 0.644E+00
RMM: 31 -0.410916360068E+03 0.64196E+00 -0.22885E-01 14390 0.607E-01 0.768E+00
RMM: 32 -0.411899615392E+03 -0.98326E+00 -0.33744E-01 14813 0.730E-01 0.574E+00
RMM: 33 -0.412452896181E+03 -0.55328E+00 -0.65528E-01 16059 0.780E-01 0.560E+00
RMM: 34 -0.413490328827E+03 -0.10374E+01 -0.21106E-01 14489 0.448E-01 0.650E+00
RMM: 35 -0.413882121355E+03 -0.39179E+00 -0.10382E-01 13284 0.369E-01 0.569E+00
RMM: 36 -0.414078716122E+03 -0.19659E+00 -0.46603E-02 11510 0.269E-01 0.395E+00
RMM: 37 -0.414444488887E+03 -0.36577E+00 -0.52609E-03 10280 0.952E-02 0.372E+00
RMM: 38 -0.414847136186E+03 -0.40265E+00 -0.24077E-02 12291 0.199E-01 0.336E+00
RMM: 39 -0.415092219298E+03 -0.24508E+00 -0.24282E-02 12401 0.196E-01 0.263E+00
RMM: 40 -0.415211075778E+03 -0.11886E+00 -0.88383E-03 10885 0.122E-01 0.214E+00
RMM: 41 -0.415256501677E+03 -0.45426E-01 -0.11542E-02 11004 0.133E-01 0.185E+00
RMM: 42 -0.415424627156E+03 -0.16813E+00 -0.47740E-03 10482 0.800E-02 0.185E+00
RMM: 43 -0.415562776271E+03 -0.13815E+00 -0.72795E-03 11263 0.924E-02 0.124E+00
RMM: 44 -0.415774380290E+03 -0.21160E+00 -0.76661E-03 11584 0.899E-02 0.867E-01
RMM: 45 -0.415859963155E+03 -0.85583E-01 -0.18898E-03 10566 0.459E-02 0.800E-01
RMM: 46 -0.415942549653E+03 -0.82586E-01 -0.76520E-03 12677 0.822E-02 0.629E-01
RMM: 47 -0.416027546623E+03 -0.84997E-01 -0.10410E-02 13157 0.960E-02 0.531E-01
RMM: 48 -0.416142902351E+03 -0.11536E+00 -0.13081E-02 13225 0.990E-02 0.408E-01
RMM: 49 -0.416193226362E+03 -0.50324E-01 -0.33135E-03 11470 0.552E-02 0.385E-01
RMM: 50 -0.416223646928E+03 -0.30421E-01 -0.19311E-03 11036 0.406E-02 0.373E-01
RMM: 51 -0.416192902821E+03 0.30744E-01 -0.60398E-03 12844 0.690E-02 0.300E-01
RMM: 52 -0.416245214748E+03 -0.52312E-01 -0.32283E-03 11890 0.541E-02 0.159E-01
RMM: 53 -0.416281104741E+03 -0.35890E-01 -0.10871E-03 11076 0.318E-02 0.121E-01
RMM: 54 -0.416318929835E+03 -0.37825E-01 -0.72235E-04 11015 0.237E-02 0.131E-01
RMM: 55 -0.416366409116E+03 -0.47479E-01 -0.84815E-04 11578 0.233E-02 0.123E-01
RMM: 56 -0.416399576392E+03 -0.33167E-01 -0.53721E-04 11429 0.204E-02 0.939E-02
RMM: 57 -0.416410644906E+03 -0.11069E-01 -0.19944E-04 10139 0.127E-02 0.934E-02
RMM: 58 -0.416414605560E+03 -0.39607E-02 -0.90356E-05 9257 0.902E-03 0.563E-02
RMM: 59 -0.416417422704E+03 -0.28171E-02 -0.63243E-05 8659 0.710E-03 0.349E-02
RMM: 60 -0.416418789201E+03 -0.13665E-02 -0.32029E-05 7848 0.530E-03 0.259E-02
RMM: 61 -0.416419662741E+03 -0.87354E-03 -0.26170E-05 7497 0.459E-03 0.194E-02
RMM: 62 -0.416420365745E+03 -0.70300E-03 -0.14709E-05 6910 0.322E-03 0.140E-02
RMM: 63 -0.416420733241E+03 -0.36750E-03 -0.82279E-06 6535 0.238E-03 0.996E-03
RMM: 64 -0.416421072797E+03 -0.33956E-03 -0.53870E-06 5415 0.182E-03 0.653E-03
RMM: 65 -0.416421233589E+03 -0.16079E-03 -0.30548E-06 4530 0.142E-03 0.367E-03
RMM: 66 -0.416421372315E+03 -0.13873E-03 -0.21970E-06 4459 0.129E-03 0.605E-03
RMM: 67 -0.416421461630E+03 -0.89316E-04 -0.12773E-06 3962 0.112E-03 0.583E-03
RMM: 68 -0.416421522356E+03 -0.60725E-04 -0.72368E-07 3343 0.991E-04 0.252E-03
RMM: 69 -0.416421568838E+03 -0.46482E-04 -0.89677E-07 3819 0.105E-03 0.760E-03
RMM: 70 -0.416421583573E+03 -0.14736E-04 -0.34567E-07 2986 0.905E-04 0.769E-03
RMM: 71 -0.416421576529E+03 0.70446E-05 -0.68979E-08 2346 0.814E-04
1 F= -.45414758E+03 E0= -.45414705E+03 d E =-.158369E-02 mag= 0.0008