iterations/neb3_max1_image04_iter27_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421782546029E+04 0.42178E+04 -0.25383E+05 9008 0.103E+03
DAV: 2 -0.105505496339E+03 -0.43233E+04 -0.39285E+04 11024 0.248E+02
DAV: 3 -0.426935398521E+03 -0.32143E+03 -0.30077E+03 10232 0.655E+01
DAV: 4 -0.435478674131E+03 -0.85433E+01 -0.84422E+01 10840 0.107E+01
DAV: 5 -0.435762121697E+03 -0.28345E+00 -0.28282E+00 11168 0.190E+00 0.100E+02
RMM: 6 -0.388187515100E+03 0.47575E+02 -0.10796E+02 9690 0.143E+01 0.729E+01
RMM: 7 -0.793460077180E+03 -0.40527E+03 -0.42993E+02 11338 0.191E+01 0.146E+02
RMM: 8 -0.498170761364E+03 0.29529E+03 -0.11945E+02 10058 0.115E+01 0.907E+01
RMM: 9 -0.402820310854E+03 0.95350E+02 -0.69026E+01 10164 0.107E+01 0.522E+01
RMM: 10 -0.396731681795E+03 0.60886E+01 -0.44306E+01 10240 0.860E+00 0.481E+01
RMM: 11 -0.380580949559E+03 0.16151E+02 -0.21205E+01 10185 0.574E+00 0.399E+01
RMM: 12 -0.374428502623E+03 0.61524E+01 -0.75332E+00 9990 0.363E+00 0.247E+01
RMM: 13 -0.374764646714E+03 -0.33614E+00 -0.29059E+00 10150 0.227E+00 0.206E+01
RMM: 14 -0.374723847823E+03 0.40799E-01 -0.11417E+00 10100 0.145E+00 0.134E+01
RMM: 15 -0.379520947622E+03 -0.47971E+01 -0.13387E+00 10506 0.151E+00 0.134E+01
RMM: 16 -0.385286131917E+03 -0.57652E+01 -0.14095E+00 10703 0.155E+00 0.154E+01
RMM: 17 -0.387668794156E+03 -0.23827E+01 -0.11388E+00 10640 0.133E+00 0.974E+00
RMM: 18 -0.390988699079E+03 -0.33199E+01 -0.68255E-01 10502 0.101E+00 0.664E+00
RMM: 19 -0.394812109133E+03 -0.38234E+01 -0.87109E-01 11114 0.109E+00 0.609E+00
RMM: 20 -0.398481521958E+03 -0.36694E+01 -0.13280E+00 11797 0.128E+00 0.676E+00
RMM: 21 -0.401338068267E+03 -0.28565E+01 -0.10583E+00 11655 0.106E+00 0.659E+00
RMM: 22 -0.404189732025E+03 -0.28517E+01 -0.81835E-01 11648 0.888E-01 0.643E+00
RMM: 23 -0.408968827345E+03 -0.47791E+01 -0.21396E+00 12871 0.127E+00 0.823E+00
RMM: 24 -0.410087231838E+03 -0.11184E+01 -0.57475E-01 11647 0.679E-01 0.730E+00
RMM: 25 -0.410512238587E+03 -0.42501E+00 -0.56519E-02 10546 0.237E-01 0.682E+00
RMM: 26 -0.410822211686E+03 -0.30997E+00 -0.20278E-02 10661 0.123E-01 0.677E+00
RMM: 27 -0.411073808917E+03 -0.25160E+00 -0.13329E-02 10664 0.106E-01 0.699E+00
RMM: 28 -0.411187137180E+03 -0.11333E+00 -0.12852E-02 11010 0.110E-01 0.716E+00
RMM: 29 -0.411340605798E+03 -0.15347E+00 -0.11008E-02 11201 0.101E-01 0.784E+00
RMM: 30 -0.411254305646E+03 0.86300E-01 -0.75766E-02 14719 0.270E-01 0.574E+00
RMM: 31 -0.412556370090E+03 -0.13021E+01 -0.56649E-02 14340 0.245E-01 0.542E+00
RMM: 32 -0.412918161338E+03 -0.36179E+00 -0.73439E-02 14431 0.272E-01 0.556E+00
RMM: 33 -0.414653371207E+03 -0.17352E+01 -0.53142E-01 17055 0.667E-01 0.448E+00
RMM: 34 -0.415892983466E+03 -0.12396E+01 -0.17010E-01 15849 0.466E-01 0.563E+00
RMM: 35 -0.415356358299E+03 0.53663E+00 -0.12614E-01 15625 0.387E-01 0.299E+00
RMM: 36 -0.416111659765E+03 -0.75530E+00 -0.73193E-02 15034 0.306E-01 0.261E+00
RMM: 37 -0.416353974654E+03 -0.24231E+00 -0.29146E-02 13212 0.200E-01 0.230E+00
RMM: 38 -0.416414914375E+03 -0.60940E-01 -0.85456E-03 11111 0.115E-01 0.233E+00
RMM: 39 -0.416504912228E+03 -0.89998E-01 -0.10591E-02 11352 0.118E-01 0.209E+00
RMM: 40 -0.416678328648E+03 -0.17342E+00 -0.88551E-03 11415 0.107E-01 0.181E+00
RMM: 41 -0.416880026258E+03 -0.20170E+00 -0.98224E-03 11664 0.109E-01 0.137E+00
RMM: 42 -0.417005356480E+03 -0.12533E+00 -0.39685E-03 10788 0.709E-02 0.116E+00
RMM: 43 -0.417095707543E+03 -0.90351E-01 -0.48076E-03 11212 0.723E-02 0.928E-01
RMM: 44 -0.417191087635E+03 -0.95380E-01 -0.58960E-03 11792 0.771E-02 0.745E-01
RMM: 45 -0.417293396003E+03 -0.10231E+00 -0.14477E-02 13219 0.110E-01 0.587E-01
RMM: 46 -0.417347052125E+03 -0.53656E-01 -0.13676E-02 13019 0.102E-01 0.401E-01
RMM: 47 -0.417409126174E+03 -0.62074E-01 -0.90468E-03 12404 0.822E-02 0.631E-01
RMM: 48 -0.417429941430E+03 -0.20815E-01 -0.21960E-03 11031 0.476E-02 0.796E-01
RMM: 49 -0.417579240789E+03 -0.14930E+00 -0.25039E-03 11248 0.448E-02 0.810E-01
RMM: 50 -0.417655593817E+03 -0.76353E-01 -0.16433E-03 10957 0.434E-02 0.637E-01
RMM: 51 -0.417549448498E+03 0.10615E+00 -0.57227E-03 12865 0.728E-02 0.280E-01
RMM: 52 -0.417579891714E+03 -0.30443E-01 -0.10050E-03 10849 0.354E-02 0.291E-01
RMM: 53 -0.417609539354E+03 -0.29648E-01 -0.66012E-04 10897 0.240E-02 0.256E-01
RMM: 54 -0.417638694935E+03 -0.29156E-01 -0.25049E-04 10491 0.164E-02 0.206E-01
RMM: 55 -0.417679699271E+03 -0.41004E-01 -0.57527E-04 11595 0.211E-02 0.169E-01
RMM: 56 -0.417697837005E+03 -0.18138E-01 -0.17107E-04 10738 0.137E-02 0.990E-02
RMM: 57 -0.417719214575E+03 -0.21378E-01 -0.24788E-04 10809 0.134E-02 0.679E-02
RMM: 58 -0.417725494313E+03 -0.62797E-02 -0.11636E-04 9784 0.986E-03 0.476E-02
RMM: 59 -0.417729858012E+03 -0.43637E-02 -0.83131E-05 9008 0.779E-03 0.310E-02
RMM: 60 -0.417731925355E+03 -0.20673E-02 -0.45444E-05 8208 0.574E-03 0.201E-02
RMM: 61 -0.417732652047E+03 -0.72669E-03 -0.28150E-05 7539 0.472E-03 0.128E-02
RMM: 62 -0.417733238822E+03 -0.58677E-03 -0.95056E-06 6685 0.280E-03 0.131E-02
RMM: 63 -0.417734064829E+03 -0.82601E-03 -0.83569E-06 6733 0.232E-03 0.139E-02
RMM: 64 -0.417734353462E+03 -0.28863E-03 -0.26345E-06 4672 0.141E-03 0.944E-03
RMM: 65 -0.417734651210E+03 -0.29775E-03 -0.20988E-06 4460 0.132E-03 0.604E-03
RMM: 66 -0.417734812294E+03 -0.16108E-03 -0.11039E-06 4017 0.117E-03 0.380E-03
RMM: 67 -0.417734993065E+03 -0.18077E-03 -0.95774E-07 4185 0.111E-03 0.612E-03
RMM: 68 -0.417735066579E+03 -0.73514E-04 -0.41320E-07 3264 0.934E-04 0.744E-03
RMM: 69 -0.417735127273E+03 -0.60694E-04 -0.28742E-07 2951 0.863E-04 0.630E-03
RMM: 70 -0.417735197131E+03 -0.69858E-04 -0.49128E-07 3288 0.903E-04 0.232E-03
RMM: 71 -0.417735187532E+03 0.95993E-05 -0.58934E-07 3454 0.973E-04
1 F= -.45538809E+03 E0= -.45538872E+03 d E =0.188256E-02 mag= -0.0005