iterations/neb1_max2_image04_iter22_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422726730143E+04 0.42273E+04 -0.25385E+05 8992 0.103E+03
DAV: 2 -0.102769265691E+03 -0.43300E+04 -0.39270E+04 11000 0.248E+02
DAV: 3 -0.425667747575E+03 -0.32290E+03 -0.30235E+03 10208 0.657E+01
DAV: 4 -0.434349675767E+03 -0.86819E+01 -0.85677E+01 10896 0.108E+01
DAV: 5 -0.434645815380E+03 -0.29614E+00 -0.29538E+00 11040 0.196E+00 0.982E+01
RMM: 6 -0.387210106701E+03 0.47436E+02 -0.11069E+02 9704 0.146E+01 0.738E+01
RMM: 7 -0.792776407996E+03 -0.40557E+03 -0.41902E+02 11249 0.191E+01 0.154E+02
RMM: 8 -0.487592493046E+03 0.30518E+03 -0.95821E+01 9923 0.105E+01 0.880E+01
RMM: 9 -0.436921827011E+03 0.50671E+02 -0.69037E+01 10238 0.107E+01 0.650E+01
RMM: 10 -0.367844333420E+03 0.69077E+02 -0.32159E+01 10251 0.728E+00 0.213E+01
RMM: 11 -0.372616419793E+03 -0.47721E+01 -0.14241E+01 10126 0.463E+00 0.233E+01
RMM: 12 -0.371259395619E+03 0.13570E+01 -0.39371E+00 10290 0.251E+00 0.172E+01
RMM: 13 -0.376346521048E+03 -0.50871E+01 -0.28385E+00 10191 0.235E+00 0.152E+01
RMM: 14 -0.379235540023E+03 -0.28890E+01 -0.16659E+00 10157 0.171E+00 0.135E+01
RMM: 15 -0.381754101669E+03 -0.25186E+01 -0.98186E-01 10192 0.125E+00 0.114E+01
RMM: 16 -0.388001451263E+03 -0.62473E+01 -0.22802E+00 11433 0.172E+00 0.103E+01
RMM: 17 -0.391294159233E+03 -0.32927E+01 -0.86142E-01 10618 0.113E+00 0.712E+00
RMM: 18 -0.393452955629E+03 -0.21588E+01 -0.24893E-01 10206 0.601E-01 0.671E+00
RMM: 19 -0.396418725298E+03 -0.29658E+01 -0.61764E-01 11414 0.838E-01 0.658E+00
RMM: 20 -0.400413390807E+03 -0.39947E+01 -0.13852E+00 12462 0.117E+00 0.605E+00
RMM: 21 -0.402799113116E+03 -0.23857E+01 -0.48470E-01 11506 0.707E-01 0.488E+00
RMM: 22 -0.407224506853E+03 -0.44254E+01 -0.13088E+00 12694 0.103E+00 0.421E+00
RMM: 23 -0.410561969222E+03 -0.33375E+01 -0.13623E+00 13083 0.105E+00 0.477E+00
RMM: 24 -0.411956832896E+03 -0.13949E+01 -0.65159E-01 12117 0.731E-01 0.531E+00
RMM: 25 -0.412302180219E+03 -0.34535E+00 -0.59536E-02 10448 0.257E-01 0.516E+00
RMM: 26 -0.412253364526E+03 0.48816E-01 -0.10240E-02 10421 0.116E-01 0.512E+00
RMM: 27 -0.411961345215E+03 0.29202E+00 -0.39993E-02 10972 0.238E-01 0.469E+00
RMM: 28 -0.411541915372E+03 0.41943E+00 -0.24211E-01 14531 0.622E-01 0.506E+00
RMM: 29 -0.411038570528E+03 0.50334E+00 -0.12683E-01 13690 0.442E-01 0.645E+00
RMM: 30 -0.411441685012E+03 -0.40311E+00 -0.66954E-03 10296 0.119E-01 0.618E+00
RMM: 31 -0.412593483133E+03 -0.11518E+01 -0.77258E-01 16980 0.977E-01 0.597E+00
RMM: 32 -0.413572732696E+03 -0.97925E+00 -0.29658E-01 15782 0.561E-01 0.501E+00
RMM: 33 -0.414127773149E+03 -0.55504E+00 -0.16336E-01 14982 0.459E-01 0.292E+00
RMM: 34 -0.414231312984E+03 -0.10354E+00 -0.63368E-03 10575 0.107E-01 0.266E+00
RMM: 35 -0.414473330033E+03 -0.24202E+00 -0.13693E-02 11315 0.159E-01 0.250E+00
RMM: 36 -0.414832342996E+03 -0.35901E+00 -0.34370E-02 12932 0.242E-01 0.199E+00
RMM: 37 -0.414915740490E+03 -0.83397E-01 -0.13543E-02 11420 0.146E-01 0.149E+00
RMM: 38 -0.415134031093E+03 -0.21829E+00 -0.15914E-02 11794 0.147E-01 0.122E+00
RMM: 39 -0.415237767720E+03 -0.10374E+00 -0.74329E-03 10927 0.994E-02 0.797E-01
RMM: 40 -0.415391389396E+03 -0.15362E+00 -0.94942E-03 11554 0.105E-01 0.712E-01
RMM: 41 -0.415470454181E+03 -0.79065E-01 -0.82066E-03 11449 0.921E-02 0.715E-01
RMM: 42 -0.415541061716E+03 -0.70608E-01 -0.94597E-03 11793 0.915E-02 0.604E-01
RMM: 43 -0.415665290123E+03 -0.12423E+00 -0.19631E-02 12815 0.124E-01 0.511E-01
RMM: 44 -0.415749286675E+03 -0.83997E-01 -0.11706E-02 12158 0.947E-02 0.556E-01
RMM: 45 -0.415813860886E+03 -0.64574E-01 -0.51673E-03 11368 0.651E-02 0.453E-01
RMM: 46 -0.415909414915E+03 -0.95554E-01 -0.47325E-03 11457 0.645E-02 0.312E-01
RMM: 47 -0.415949185713E+03 -0.39771E-01 -0.20531E-03 10980 0.455E-02 0.211E-01
RMM: 48 -0.415970964542E+03 -0.21779E-01 -0.91233E-04 10694 0.292E-02 0.150E-01
RMM: 49 -0.416002597461E+03 -0.31633E-01 -0.70692E-04 10984 0.246E-02 0.120E-01
RMM: 50 -0.416058287619E+03 -0.55690E-01 -0.68370E-04 11351 0.225E-02 0.902E-02
RMM: 51 -0.416075322757E+03 -0.17035E-01 -0.31957E-04 10870 0.170E-02 0.817E-02
RMM: 52 -0.416089063775E+03 -0.13741E-01 -0.15420E-04 10139 0.124E-02 0.641E-02
RMM: 53 -0.416094151106E+03 -0.50873E-02 -0.66760E-05 8769 0.773E-03 0.507E-02
RMM: 54 -0.416096562728E+03 -0.24116E-02 -0.39320E-05 8095 0.644E-03 0.385E-02
RMM: 55 -0.416097303992E+03 -0.74126E-03 -0.18314E-05 7112 0.441E-03 0.340E-02
RMM: 56 -0.416096958795E+03 0.34520E-03 -0.13735E-05 6649 0.426E-03 0.211E-02
RMM: 57 -0.416097774680E+03 -0.81589E-03 -0.12368E-05 6863 0.325E-03 0.113E-02
RMM: 58 -0.416098064684E+03 -0.29000E-03 -0.51083E-06 6421 0.218E-03 0.636E-03
RMM: 59 -0.416098294108E+03 -0.22942E-03 -0.29215E-06 5250 0.159E-03 0.468E-03
RMM: 60 -0.416098443665E+03 -0.14956E-03 -0.13163E-06 4009 0.118E-03 0.367E-03
RMM: 61 -0.416098601578E+03 -0.15791E-03 -0.24076E-06 5632 0.147E-03 0.184E-02
RMM: 62 -0.416098625441E+03 -0.23863E-04 -0.47751E-07 3536 0.961E-04 0.201E-02
RMM: 63 -0.416098637833E+03 -0.12392E-04 -0.38940E-08 2403 0.754E-04 0.156E-02
RMM: 64 -0.416098702245E+03 -0.64412E-04 -0.13239E-06 4654 0.122E-03 0.762E-03
RMM: 65 -0.416098804170E+03 -0.10192E-03 -0.94144E-07 4261 0.113E-03 0.113E-02
RMM: 66 -0.416098835665E+03 -0.31496E-04 -0.24323E-07 2871 0.886E-04 0.957E-03
RMM: 67 -0.416098865120E+03 -0.29455E-04 -0.12439E-07 2621 0.833E-04 0.855E-03
RMM: 68 -0.416098886024E+03 -0.20904E-04 -0.14460E-07 2610 0.828E-04 0.559E-03
RMM: 69 -0.416098905406E+03 -0.19383E-04 -0.25459E-07 2895 0.874E-04 0.412E-03
RMM: 70 -0.416098926751E+03 -0.21344E-04 -0.15736E-07 2664 0.839E-04 0.278E-03
RMM: 71 -0.416098932715E+03 -0.59641E-05 -0.20471E-07 2776 0.879E-04
1 F= -.45381236E+03 E0= -.45381174E+03 d E =-.186084E-02 mag= -0.0003