iterations/neb1_max2_image03_iter14_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422505150172E+04 0.42251E+04 -0.25386E+05 9000 0.103E+03
DAV: 2 -0.102863862913E+03 -0.43279E+04 -0.39268E+04 11008 0.248E+02
DAV: 3 -0.425853895593E+03 -0.32299E+03 -0.30168E+03 10248 0.657E+01
DAV: 4 -0.434360003939E+03 -0.85061E+01 -0.84025E+01 10712 0.107E+01
DAV: 5 -0.434652667476E+03 -0.29266E+00 -0.29195E+00 11096 0.194E+00 0.992E+01
RMM: 6 -0.388554330331E+03 0.46098E+02 -0.11165E+02 9708 0.146E+01 0.745E+01
RMM: 7 -0.831560481287E+03 -0.44301E+03 -0.45704E+02 11451 0.195E+01 0.152E+02
RMM: 8 -0.491146450020E+03 0.34041E+03 -0.10201E+02 9897 0.108E+01 0.897E+01
RMM: 9 -0.428665778103E+03 0.62481E+02 -0.71661E+01 10220 0.109E+01 0.633E+01
RMM: 10 -0.366058731221E+03 0.62607E+02 -0.35215E+01 10273 0.765E+00 0.241E+01
RMM: 11 -0.370488917673E+03 -0.44302E+01 -0.13788E+01 10258 0.431E+00 0.280E+01
RMM: 12 -0.369758584582E+03 0.73033E+00 -0.37830E+00 10099 0.259E+00 0.202E+01
RMM: 13 -0.371560747773E+03 -0.18022E+01 -0.21510E+00 10116 0.207E+00 0.142E+01
RMM: 14 -0.375955549063E+03 -0.43948E+01 -0.16668E+00 10188 0.169E+00 0.127E+01
RMM: 15 -0.378808275554E+03 -0.28527E+01 -0.10438E+00 10251 0.132E+00 0.102E+01
RMM: 16 -0.386918085360E+03 -0.81098E+01 -0.25287E+00 11609 0.185E+00 0.111E+01
RMM: 17 -0.389499187991E+03 -0.25811E+01 -0.11319E+00 10772 0.132E+00 0.832E+00
RMM: 18 -0.392011786974E+03 -0.25126E+01 -0.45749E-01 10320 0.807E-01 0.809E+00
RMM: 19 -0.394232675181E+03 -0.22209E+01 -0.49238E-01 10926 0.755E-01 0.748E+00
RMM: 20 -0.397914912540E+03 -0.36822E+01 -0.12313E+00 12095 0.111E+00 0.655E+00
RMM: 21 -0.400495546969E+03 -0.25806E+01 -0.55395E-01 11472 0.765E-01 0.526E+00
RMM: 22 -0.404189176821E+03 -0.36936E+01 -0.86392E-01 12164 0.866E-01 0.479E+00
RMM: 23 -0.407963560776E+03 -0.37744E+01 -0.12915E+00 12914 0.102E+00 0.500E+00
RMM: 24 -0.410322487142E+03 -0.23589E+01 -0.11062E+00 12829 0.919E-01 0.535E+00
RMM: 25 -0.410831262007E+03 -0.50877E+00 -0.92067E-02 10634 0.313E-01 0.501E+00
RMM: 26 -0.410788152841E+03 0.43109E-01 -0.23102E-02 10228 0.177E-01 0.498E+00
RMM: 27 -0.410456879155E+03 0.33127E+00 -0.67655E-02 11018 0.312E-01 0.443E+00
RMM: 28 -0.410526068364E+03 -0.69189E-01 -0.25380E-01 13576 0.630E-01 0.508E+00
RMM: 29 -0.410134388657E+03 0.39168E+00 -0.10161E-01 11824 0.413E-01 0.641E+00
RMM: 30 -0.411319555576E+03 -0.11852E+01 -0.50801E-01 14266 0.863E-01 0.574E+00
RMM: 31 -0.411946619894E+03 -0.62706E+00 -0.34677E-01 14209 0.654E-01 0.649E+00
RMM: 32 -0.413023640375E+03 -0.10770E+01 -0.16740E-01 12478 0.427E-01 0.431E+00
RMM: 33 -0.413294580501E+03 -0.27094E+00 -0.46972E-02 10973 0.255E-01 0.320E+00
RMM: 34 -0.413359991631E+03 -0.65411E-01 -0.11289E-02 10215 0.145E-01 0.304E+00
RMM: 35 -0.413851120310E+03 -0.49113E+00 -0.48686E-02 12014 0.281E-01 0.269E+00
RMM: 36 -0.414067275207E+03 -0.21615E+00 -0.37518E-02 11622 0.246E-01 0.181E+00
RMM: 37 -0.414205141836E+03 -0.13787E+00 -0.14128E-02 10627 0.146E-01 0.165E+00
RMM: 38 -0.414394333496E+03 -0.18919E+00 -0.92734E-03 10500 0.118E-01 0.127E+00
RMM: 39 -0.414566990345E+03 -0.17266E+00 -0.12723E-02 11094 0.133E-01 0.917E-01
RMM: 40 -0.414716181096E+03 -0.14919E+00 -0.89193E-03 10954 0.104E-01 0.748E-01
RMM: 41 -0.414774864945E+03 -0.58684E-01 -0.42216E-03 10576 0.708E-02 0.694E-01
RMM: 42 -0.414859402805E+03 -0.84538E-01 -0.94533E-03 11878 0.933E-02 0.622E-01
RMM: 43 -0.414965522285E+03 -0.10612E+00 -0.23680E-02 13140 0.138E-01 0.698E-01
RMM: 44 -0.415067364322E+03 -0.10184E+00 -0.93349E-03 11896 0.875E-02 0.676E-01
RMM: 45 -0.415150907304E+03 -0.83543E-01 -0.53202E-03 11258 0.747E-02 0.415E-01
RMM: 46 -0.415206120294E+03 -0.55213E-01 -0.37149E-03 11071 0.586E-02 0.308E-01
RMM: 47 -0.415239458768E+03 -0.33338E-01 -0.18406E-03 10795 0.388E-02 0.228E-01
RMM: 48 -0.415280150099E+03 -0.40691E-01 -0.20880E-03 11373 0.380E-02 0.155E-01
RMM: 49 -0.415309234147E+03 -0.29084E-01 -0.11044E-03 11055 0.290E-02 0.116E-01
RMM: 50 -0.415347429959E+03 -0.38196E-01 -0.70771E-04 11055 0.224E-02 0.851E-02
RMM: 51 -0.415378700099E+03 -0.31270E-01 -0.40037E-04 10945 0.177E-02 0.759E-02
RMM: 52 -0.415409254782E+03 -0.30555E-01 -0.26846E-04 10723 0.146E-02 0.681E-02
RMM: 53 -0.415419407511E+03 -0.10153E-01 -0.97699E-05 9356 0.931E-03 0.546E-02
RMM: 54 -0.415423740087E+03 -0.43326E-02 -0.74338E-05 8968 0.806E-03 0.368E-02
RMM: 55 -0.415424647201E+03 -0.90711E-03 -0.22654E-05 7304 0.506E-03 0.372E-02
RMM: 56 -0.415423719084E+03 0.92812E-03 -0.21009E-05 6720 0.578E-03 0.186E-02
RMM: 57 -0.415424599232E+03 -0.88015E-03 -0.10464E-05 6664 0.361E-03 0.169E-02
RMM: 58 -0.415425128127E+03 -0.52889E-03 -0.11633E-05 6829 0.319E-03 0.117E-02
RMM: 59 -0.415425579118E+03 -0.45099E-03 -0.55051E-06 5978 0.201E-03 0.762E-03
RMM: 60 -0.415425984880E+03 -0.40576E-03 -0.42907E-06 6366 0.181E-03 0.596E-03
RMM: 61 -0.415426164396E+03 -0.17952E-03 -0.36667E-06 5745 0.171E-03 0.251E-02
RMM: 62 -0.415426232342E+03 -0.67946E-04 -0.10310E-06 4523 0.124E-03 0.250E-02
RMM: 63 -0.415426232841E+03 -0.49984E-06 -0.10165E-07 2584 0.862E-04
1 F= -.45314260E+03 E0= -.45314193E+03 d E =-.201829E-02 mag= -0.0076