iterations/neb3_max1_image04_iter26_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421658851195E+04 0.42166E+04 -0.25382E+05 9008 0.103E+03
DAV: 2 -0.105558931491E+03 -0.43221E+04 -0.39275E+04 11016 0.248E+02
DAV: 3 -0.427117574508E+03 -0.32156E+03 -0.30077E+03 10240 0.654E+01
DAV: 4 -0.435646871908E+03 -0.85293E+01 -0.84301E+01 10800 0.107E+01
DAV: 5 -0.435930746022E+03 -0.28387E+00 -0.28326E+00 11168 0.190E+00 0.999E+01
RMM: 6 -0.387574677069E+03 0.48356E+02 -0.10884E+02 9704 0.143E+01 0.723E+01
RMM: 7 -0.762642599239E+03 -0.37507E+03 -0.40172E+02 11215 0.186E+01 0.142E+02
RMM: 8 -0.498570126846E+03 0.26407E+03 -0.11589E+02 10083 0.113E+01 0.905E+01
RMM: 9 -0.399989085253E+03 0.98581E+02 -0.69660E+01 10181 0.108E+01 0.510E+01
RMM: 10 -0.391550793709E+03 0.84383E+01 -0.42668E+01 10215 0.845E+00 0.451E+01
RMM: 11 -0.386103524614E+03 0.54473E+01 -0.21769E+01 10222 0.577E+00 0.440E+01
RMM: 12 -0.375030576874E+03 0.11073E+02 -0.73837E+00 9976 0.369E+00 0.267E+01
RMM: 13 -0.374761681906E+03 0.26889E+00 -0.29650E+00 10129 0.228E+00 0.218E+01
RMM: 14 -0.375017322764E+03 -0.25564E+00 -0.13175E+00 10161 0.154E+00 0.141E+01
RMM: 15 -0.378750811369E+03 -0.37335E+01 -0.11767E+00 10444 0.142E+00 0.132E+01
RMM: 16 -0.384731003817E+03 -0.59802E+01 -0.14492E+00 10808 0.156E+00 0.162E+01
RMM: 17 -0.386704368908E+03 -0.19734E+01 -0.10609E+00 10607 0.131E+00 0.107E+01
RMM: 18 -0.390673320317E+03 -0.39690E+01 -0.97056E-01 10826 0.119E+00 0.754E+00
RMM: 19 -0.394523167247E+03 -0.38498E+01 -0.93479E-01 11074 0.114E+00 0.603E+00
RMM: 20 -0.398717149285E+03 -0.41940E+01 -0.15688E+00 11806 0.140E+00 0.718E+00
RMM: 21 -0.401040507073E+03 -0.23234E+01 -0.88792E-01 11316 0.100E+00 0.728E+00
RMM: 22 -0.403371569323E+03 -0.23311E+01 -0.72779E-01 11433 0.846E-01 0.737E+00
RMM: 23 -0.406945587258E+03 -0.35740E+01 -0.15840E+00 12417 0.113E+00 0.800E+00
RMM: 24 -0.409196791853E+03 -0.22512E+01 -0.10029E+00 12128 0.897E-01 0.770E+00
RMM: 25 -0.410169029977E+03 -0.97224E+00 -0.24980E-01 11090 0.463E-01 0.667E+00
RMM: 26 -0.410493710204E+03 -0.32468E+00 -0.19298E-02 10945 0.138E-01 0.647E+00
RMM: 27 -0.410633705267E+03 -0.14000E+00 -0.44430E-03 11079 0.644E-02 0.642E+00
RMM: 28 -0.410771031223E+03 -0.13733E+00 -0.28153E-03 10313 0.552E-02 0.679E+00
RMM: 29 -0.410782604043E+03 -0.11573E-01 -0.48713E-03 11315 0.645E-02 0.745E+00
RMM: 30 -0.410738094979E+03 0.44509E-01 -0.47993E-02 15356 0.210E-01 0.547E+00
RMM: 31 -0.411661662117E+03 -0.92357E+00 -0.30737E-02 14453 0.182E-01 0.698E+00
RMM: 32 -0.410751477146E+03 0.91018E+00 -0.10838E-01 16772 0.366E-01 0.975E+00
RMM: 33 -0.409176521984E+03 0.15750E+01 -0.40764E-02 14937 0.240E-01 0.996E+00
RMM: 34 -0.409393694119E+03 -0.21717E+00 -0.14231E-02 12493 0.143E-01 0.935E+00
RMM: 35 -0.409713836254E+03 -0.32014E+00 -0.44554E-02 15325 0.224E-01 0.712E+00
RMM: 36 -0.411172771341E+03 -0.14589E+01 -0.21569E-01 17522 0.518E-01 0.569E+00
RMM: 37 -0.412644916645E+03 -0.14721E+01 -0.42417E-01 17759 0.719E-01 0.702E+00
RMM: 38 -0.413332709290E+03 -0.68779E+00 -0.35883E-01 17520 0.616E-01 0.703E+00
RMM: 39 -0.414030002084E+03 -0.69729E+00 -0.23472E-01 17517 0.533E-01 0.416E+00
RMM: 40 -0.416426440475E+03 -0.23964E+01 -0.25592E-01 17695 0.551E-01 0.960E+00
RMM: 41 -0.415050286924E+03 0.13762E+01 -0.23441E-02 14384 0.198E-01 0.101E+01
RMM: 42 -0.414588701458E+03 0.46159E+00 -0.17591E-02 13493 0.145E-01 0.858E+00
RMM: 43 -0.414260781805E+03 0.32792E+00 -0.12552E-01 16837 0.350E-01 0.349E+00
RMM: 44 -0.415126434076E+03 -0.86565E+00 -0.43404E-02 15444 0.241E-01 0.228E+00
RMM: 45 -0.415873927793E+03 -0.74749E+00 -0.25366E-02 14122 0.174E-01 0.164E+00
RMM: 46 -0.416488043463E+03 -0.61412E+00 -0.29043E-02 14430 0.176E-01 0.111E+00
RMM: 47 -0.416976120616E+03 -0.48808E+00 -0.22806E-02 13764 0.150E-01 0.159E+00
RMM: 48 -0.416978026826E+03 -0.19062E-02 -0.12994E-02 12598 0.117E-01 0.180E+00
RMM: 49 -0.417092361768E+03 -0.11433E+00 -0.29987E-02 13601 0.159E-01 0.163E+00
RMM: 50 -0.417249580073E+03 -0.15722E+00 -0.19293E-02 13096 0.131E-01 0.159E+00
RMM: 51 -0.417255103330E+03 -0.55233E-02 -0.16735E-02 13345 0.129E-01 0.122E+00
RMM: 52 -0.417338785612E+03 -0.83682E-01 -0.24651E-03 10682 0.617E-02 0.115E+00
RMM: 53 -0.417391634197E+03 -0.52849E-01 -0.25510E-03 10879 0.544E-02 0.117E+00
RMM: 54 -0.417404477680E+03 -0.12843E-01 -0.80774E-04 10477 0.309E-02 0.951E-01
RMM: 55 -0.417458331054E+03 -0.53853E-01 -0.83386E-04 10774 0.315E-02 0.783E-01
RMM: 56 -0.417506804201E+03 -0.48473E-01 -0.10287E-03 11235 0.345E-02 0.657E-01
RMM: 57 -0.417560185318E+03 -0.53381E-01 -0.21363E-03 12109 0.513E-02 0.101E+00
RMM: 58 -0.417618409706E+03 -0.58224E-01 -0.16578E-03 11851 0.396E-02 0.472E-01
RMM: 59 -0.417669709131E+03 -0.51299E-01 -0.72202E-04 11070 0.282E-02 0.277E-01
RMM: 60 -0.417708176708E+03 -0.38468E-01 -0.38353E-04 10686 0.200E-02 0.173E-01
RMM: 61 -0.417734054562E+03 -0.25878E-01 -0.38391E-04 11079 0.217E-02 0.189E-01
RMM: 62 -0.417745192520E+03 -0.11138E-01 -0.92017E-05 9943 0.117E-02 0.212E-01
RMM: 63 -0.417758589566E+03 -0.13397E-01 -0.83604E-05 9925 0.107E-02 0.223E-01
RMM: 64 -0.417775953094E+03 -0.17364E-01 -0.22543E-04 11281 0.138E-02 0.250E-01
RMM: 65 -0.417783727952E+03 -0.77749E-02 -0.13449E-04 10256 0.103E-02 0.131E-01
RMM: 66 -0.417786595226E+03 -0.28673E-02 -0.71808E-05 9462 0.864E-03 0.618E-02
RMM: 67 -0.417788298858E+03 -0.17036E-02 -0.40778E-05 8059 0.626E-03 0.375E-02
RMM: 68 -0.417789522027E+03 -0.12232E-02 -0.41154E-05 8068 0.592E-03 0.385E-02
RMM: 69 -0.417790464155E+03 -0.94213E-03 -0.23562E-05 7278 0.464E-03 0.644E-02
RMM: 70 -0.417791262131E+03 -0.79798E-03 -0.86747E-06 6684 0.286E-03 0.491E-02
RMM: 71 -0.417791799268E+03 -0.53714E-03 -0.11532E-05 6864 0.311E-03 0.148E-02
RMM: 72 -0.417792066311E+03 -0.26704E-03 -0.33081E-06 5868 0.189E-03 0.130E-02
RMM: 73 -0.417792270866E+03 -0.20456E-03 -0.26203E-06 6250 0.168E-03 0.695E-03
RMM: 74 -0.417792495359E+03 -0.22449E-03 -0.29012E-06 4418 0.133E-03 0.846E-03
RMM: 75 -0.417792574591E+03 -0.79232E-04 -0.87746E-07 3439 0.104E-03 0.636E-03
RMM: 76 -0.417792545042E+03 0.29549E-04 -0.19155E-06 5970 0.146E-03 0.277E-03
RMM: 77 -0.417792604878E+03 -0.59836E-04 -0.76583E-07 3346 0.837E-04 0.146E-03
RMM: 78 -0.417792651704E+03 -0.46826E-04 -0.60665E-07 3288 0.847E-04 0.146E-03
RMM: 79 -0.417792673508E+03 -0.21804E-04 -0.28544E-07 2854 0.796E-04 0.117E-03
RMM: 80 -0.417792701233E+03 -0.27725E-04 -0.92090E-08 2470 0.766E-04 0.106E-03
RMM: 81 -0.417792710389E+03 -0.91563E-05 -0.13564E-07 2588 0.796E-04
1 F= -.45543891E+03 E0= -.45543948E+03 d E =0.170280E-02 mag= 0.0001