iterations/neb1_max2_image05_iter32_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422611375138E+04 0.42261E+04 -0.25390E+05 9000 0.103E+03
DAV: 2 -0.104476917926E+03 -0.43306E+04 -0.39287E+04 11016 0.248E+02
DAV: 3 -0.426424782356E+03 -0.32195E+03 -0.30161E+03 10224 0.656E+01
DAV: 4 -0.434949999476E+03 -0.85252E+01 -0.84199E+01 11000 0.107E+01
DAV: 5 -0.435242433986E+03 -0.29243E+00 -0.29156E+00 11176 0.192E+00 0.992E+01
RMM: 6 -0.377858060766E+03 0.57384E+02 -0.11483E+02 9685 0.146E+01 0.680E+01
RMM: 7 -0.525502975285E+03 -0.14764E+03 -0.18324E+02 10075 0.155E+01 0.950E+01
RMM: 8 -0.450267053718E+03 0.75236E+02 -0.82263E+01 10152 0.113E+01 0.671E+01
RMM: 9 -0.448432872885E+03 0.18342E+01 -0.43795E+01 10177 0.761E+00 0.678E+01
RMM: 10 -0.399210480508E+03 0.49222E+02 -0.45271E+01 10450 0.803E+00 0.452E+01
RMM: 11 -0.377940623311E+03 0.21270E+02 -0.80412E+00 9597 0.409E+00 0.272E+01
RMM: 12 -0.375746635651E+03 0.21940E+01 -0.55134E+00 10176 0.304E+00 0.218E+01
RMM: 13 -0.375557277833E+03 0.18936E+00 -0.23168E+00 10134 0.194E+00 0.137E+01
RMM: 14 -0.378063083076E+03 -0.25058E+01 -0.10913E+00 10219 0.128E+00 0.115E+01
RMM: 15 -0.382898405813E+03 -0.48353E+01 -0.11131E+00 10545 0.132E+00 0.116E+01
RMM: 16 -0.388430771695E+03 -0.55324E+01 -0.24020E+00 11500 0.181E+00 0.980E+00
RMM: 17 -0.394033435151E+03 -0.56027E+01 -0.16322E+00 11286 0.145E+00 0.846E+00
RMM: 18 -0.395007339499E+03 -0.97390E+00 -0.28962E-01 10148 0.699E-01 0.731E+00
RMM: 19 -0.397931954609E+03 -0.29246E+01 -0.75501E-01 11406 0.959E-01 0.672E+00
RMM: 20 -0.400118534719E+03 -0.21866E+01 -0.52916E-01 11375 0.780E-01 0.614E+00
RMM: 21 -0.400603878960E+03 -0.48534E+00 -0.61556E-02 10378 0.281E-01 0.590E+00
RMM: 22 -0.402283705232E+03 -0.16798E+01 -0.31016E-01 11833 0.561E-01 0.558E+00
RMM: 23 -0.406025055726E+03 -0.37414E+01 -0.14989E+00 14192 0.120E+00 0.497E+00
RMM: 24 -0.409675063194E+03 -0.36500E+01 -0.12411E+00 14238 0.105E+00 0.602E+00
RMM: 25 -0.411680193908E+03 -0.20051E+01 -0.63700E-01 13316 0.751E-01 0.602E+00
RMM: 26 -0.412516816017E+03 -0.83662E+00 -0.16890E-01 11494 0.403E-01 0.602E+00
RMM: 27 -0.412660898922E+03 -0.14408E+00 -0.88716E-03 10673 0.102E-01 0.603E+00
RMM: 28 -0.412484321393E+03 0.17658E+00 -0.98172E-03 10340 0.121E-01 0.576E+00
RMM: 29 -0.412269573047E+03 0.21475E+00 -0.47492E-02 12662 0.260E-01 0.533E+00
RMM: 30 -0.411776685222E+03 0.49289E+00 -0.15180E-01 14940 0.473E-01 0.441E+00
RMM: 31 -0.411734120058E+03 0.42565E-01 -0.14297E-01 14772 0.458E-01 0.588E+00
RMM: 32 -0.411602675713E+03 0.13144E+00 -0.55639E-03 10349 0.989E-02 0.629E+00
RMM: 33 -0.412603422315E+03 -0.10007E+01 -0.91892E-01 17377 0.103E+00 0.496E+00
RMM: 34 -0.413105462767E+03 -0.50204E+00 -0.13632E-01 15673 0.414E-01 0.542E+00
RMM: 35 -0.414246889555E+03 -0.11414E+01 -0.12041E-01 15246 0.389E-01 0.414E+00
RMM: 36 -0.414965446888E+03 -0.71856E+00 -0.56314E-02 13979 0.280E-01 0.243E+00
RMM: 37 -0.415030987107E+03 -0.65540E-01 -0.38708E-03 10465 0.837E-02 0.218E+00
RMM: 38 -0.415332522734E+03 -0.30154E+00 -0.19084E-02 12559 0.195E-01 0.180E+00
RMM: 39 -0.415786898574E+03 -0.45438E+00 -0.31128E-02 13750 0.221E-01 0.114E+00
RMM: 40 -0.416115420612E+03 -0.32852E+00 -0.15362E-02 12506 0.141E-01 0.106E+00
RMM: 41 -0.416309995166E+03 -0.19457E+00 -0.95028E-03 11588 0.107E-01 0.778E-01
RMM: 42 -0.416475271177E+03 -0.16528E+00 -0.22091E-02 12623 0.150E-01 0.697E-01
RMM: 43 -0.416506994211E+03 -0.31723E-01 -0.14324E-02 12039 0.117E-01 0.580E-01
RMM: 44 -0.416598450795E+03 -0.91457E-01 -0.71873E-03 11322 0.811E-02 0.567E-01
RMM: 45 -0.416661335693E+03 -0.62885E-01 -0.56468E-03 11424 0.706E-02 0.550E-01
RMM: 46 -0.416718483253E+03 -0.57148E-01 -0.93475E-03 12183 0.834E-02 0.387E-01
RMM: 47 -0.416840920840E+03 -0.12244E+00 -0.52444E-03 11770 0.702E-02 0.334E-01
RMM: 48 -0.416899377242E+03 -0.58456E-01 -0.27268E-03 11213 0.510E-02 0.341E-01
RMM: 49 -0.417004798880E+03 -0.10542E+00 -0.19619E-03 11232 0.362E-02 0.292E-01
RMM: 50 -0.417069069272E+03 -0.64270E-01 -0.69815E-04 10775 0.252E-02 0.239E-01
RMM: 51 -0.417099940741E+03 -0.30871E-01 -0.50209E-04 10910 0.216E-02 0.183E-01
RMM: 52 -0.417106021582E+03 -0.60808E-02 -0.19463E-04 10480 0.147E-02 0.129E-01
RMM: 53 -0.417107799137E+03 -0.17776E-02 -0.17592E-04 10769 0.136E-02 0.706E-02
RMM: 54 -0.417109190860E+03 -0.13917E-02 -0.55966E-05 8580 0.761E-03 0.553E-02
RMM: 55 -0.417110739995E+03 -0.15491E-02 -0.34081E-05 7755 0.591E-03 0.411E-02
RMM: 56 -0.417110791090E+03 -0.51095E-04 -0.34261E-05 7647 0.649E-03 0.231E-02
RMM: 57 -0.417111667878E+03 -0.87679E-03 -0.16109E-05 6976 0.433E-03 0.200E-02
RMM: 58 -0.417111821530E+03 -0.15365E-03 -0.72515E-06 6584 0.270E-03 0.125E-02
RMM: 59 -0.417112067072E+03 -0.24554E-03 -0.40203E-06 6205 0.194E-03 0.848E-03
RMM: 60 -0.417112493925E+03 -0.42685E-03 -0.42378E-06 6466 0.193E-03 0.191E-02
RMM: 61 -0.417112631901E+03 -0.13798E-03 -0.15733E-06 4198 0.122E-03 0.195E-02
RMM: 62 -0.417112795448E+03 -0.16355E-03 -0.10727E-06 4024 0.118E-03 0.102E-02
RMM: 63 -0.417113041283E+03 -0.24583E-03 -0.37206E-06 6390 0.187E-03 0.100E-02
RMM: 64 -0.417113186191E+03 -0.14491E-03 -0.89029E-07 3770 0.100E-03 0.125E-02
RMM: 65 -0.417113297329E+03 -0.11114E-03 -0.18090E-07 2737 0.832E-04 0.103E-02
RMM: 66 -0.417113523045E+03 -0.22572E-03 -0.81183E-07 3678 0.102E-03 0.785E-03
RMM: 67 -0.417113649641E+03 -0.12660E-03 -0.46883E-07 3330 0.929E-04 0.540E-03
RMM: 68 -0.417113734296E+03 -0.84655E-04 -0.45834E-07 3295 0.918E-04 0.257E-03
RMM: 69 -0.417113791407E+03 -0.57111E-04 -0.23633E-07 2863 0.866E-04 0.235E-03
RMM: 70 -0.417113836904E+03 -0.45497E-04 -0.33941E-07 3036 0.899E-04 0.239E-03
RMM: 71 -0.417113858441E+03 -0.21536E-04 -0.25084E-07 2872 0.879E-04 0.146E-03
RMM: 72 -0.417113878325E+03 -0.19884E-04 -0.32615E-07 3028 0.908E-04 0.676E-04
RMM: 73 -0.417113887553E+03 -0.92278E-05 -0.16517E-07 2621 0.857E-04
1 F= -.45483465E+03 E0= -.45483431E+03 d E =-.101211E-02 mag= -0.0011