iterations/neb1_max2_image03_iter27_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422670552469E+04 0.42267E+04 -0.25386E+05 8992 0.103E+03
DAV: 2 -0.104095343961E+03 -0.43308E+04 -0.39306E+04 11016 0.248E+02
DAV: 3 -0.426865578637E+03 -0.32277E+03 -0.30190E+03 10184 0.657E+01
DAV: 4 -0.435442468291E+03 -0.85769E+01 -0.84748E+01 10848 0.107E+01
DAV: 5 -0.435739254697E+03 -0.29679E+00 -0.29602E+00 11136 0.194E+00 0.995E+01
RMM: 6 -0.388965885609E+03 0.46773E+02 -0.11084E+02 9704 0.146E+01 0.741E+01
RMM: 7 -0.823248548184E+03 -0.43428E+03 -0.46347E+02 11414 0.197E+01 0.155E+02
RMM: 8 -0.494715841669E+03 0.32853E+03 -0.10297E+02 9914 0.108E+01 0.905E+01
RMM: 9 -0.440471359087E+03 0.54244E+02 -0.67472E+01 10189 0.106E+01 0.661E+01
RMM: 10 -0.371199739872E+03 0.69272E+02 -0.36250E+01 10296 0.774E+00 0.234E+01
RMM: 11 -0.372740171945E+03 -0.15404E+01 -0.15191E+01 10319 0.445E+00 0.310E+01
RMM: 12 -0.371402492033E+03 0.13377E+01 -0.40435E+00 10077 0.269E+00 0.225E+01
RMM: 13 -0.373785390053E+03 -0.23829E+01 -0.26888E+00 10175 0.232E+00 0.152E+01
RMM: 14 -0.378356923957E+03 -0.45715E+01 -0.16791E+00 10194 0.175E+00 0.145E+01
RMM: 15 -0.380524798797E+03 -0.21679E+01 -0.85015E-01 10192 0.122E+00 0.114E+01
RMM: 16 -0.387633993709E+03 -0.71092E+01 -0.21580E+00 11452 0.175E+00 0.119E+01
RMM: 17 -0.392043222008E+03 -0.44092E+01 -0.16686E+00 11161 0.154E+00 0.871E+00
RMM: 18 -0.394198599316E+03 -0.21554E+01 -0.36789E-01 10202 0.753E-01 0.838E+00
RMM: 19 -0.395887833821E+03 -0.16892E+01 -0.29241E-01 10598 0.595E-01 0.800E+00
RMM: 20 -0.398782604216E+03 -0.28948E+01 -0.77737E-01 11828 0.897E-01 0.745E+00
RMM: 21 -0.402357951219E+03 -0.35753E+01 -0.11197E+00 12474 0.103E+00 0.589E+00
RMM: 22 -0.407551619312E+03 -0.51937E+01 -0.17812E+00 13206 0.122E+00 0.499E+00
RMM: 23 -0.411028966566E+03 -0.34773E+01 -0.11826E+00 12603 0.983E-01 0.468E+00
RMM: 24 -0.412158840511E+03 -0.11299E+01 -0.23384E-01 11227 0.461E-01 0.490E+00
RMM: 25 -0.412119178749E+03 0.39662E-01 -0.13827E-02 10722 0.127E-01 0.488E+00
RMM: 26 -0.411792947000E+03 0.32623E+00 -0.33792E-02 10847 0.214E-01 0.498E+00
RMM: 27 -0.411730755995E+03 0.62191E-01 -0.26736E-02 10867 0.208E-01 0.518E+00
RMM: 28 -0.411243067255E+03 0.48769E+00 -0.99001E-02 12704 0.410E-01 0.555E+00
RMM: 29 -0.411096493905E+03 0.14657E+00 -0.10930E-02 10272 0.137E-01 0.573E+00
RMM: 30 -0.411914983318E+03 -0.81849E+00 -0.11866E-01 13320 0.455E-01 0.595E+00
RMM: 31 -0.412587027813E+03 -0.67204E+00 -0.15703E-01 14222 0.459E-01 0.660E+00
RMM: 32 -0.412236524542E+03 0.35050E+00 -0.39453E-02 11337 0.269E-01 0.589E+00
RMM: 33 -0.412753694112E+03 -0.51717E+00 -0.34585E-01 15631 0.656E-01 0.534E+00
RMM: 34 -0.412960677367E+03 -0.20698E+00 -0.35625E-01 15986 0.667E-01 0.676E+00
RMM: 35 -0.412543165775E+03 0.41751E+00 -0.10936E-01 13881 0.402E-01 0.994E+00
RMM: 36 -0.413575999400E+03 -0.10328E+01 -0.16983E-01 14301 0.506E-01 0.602E+00
RMM: 37 -0.414109460358E+03 -0.53346E+00 -0.97416E-02 13789 0.324E-01 0.513E+00
RMM: 38 -0.414474307971E+03 -0.36485E+00 -0.10167E-01 13735 0.349E-01 0.446E+00
RMM: 39 -0.414701483383E+03 -0.22718E+00 -0.13332E-01 14427 0.446E-01 0.552E+00
RMM: 40 -0.415436745972E+03 -0.73526E+00 -0.77834E-02 13356 0.349E-01 0.443E+00
RMM: 41 -0.415735310390E+03 -0.29856E+00 -0.14162E-02 10750 0.153E-01 0.330E+00
RMM: 42 -0.415733220686E+03 0.20897E-02 -0.29467E-03 10383 0.668E-02 0.302E+00
RMM: 43 -0.415875647091E+03 -0.14243E+00 -0.53275E-03 10897 0.102E-01 0.253E+00
RMM: 44 -0.416116256668E+03 -0.24061E+00 -0.30339E-02 13946 0.226E-01 0.128E+00
RMM: 45 -0.416132363808E+03 -0.16107E-01 -0.76856E-03 11618 0.108E-01 0.105E+00
RMM: 46 -0.416159840258E+03 -0.27476E-01 -0.74042E-03 11392 0.101E-01 0.941E-01
RMM: 47 -0.416252360066E+03 -0.92520E-01 -0.10426E-02 12125 0.114E-01 0.796E-01
RMM: 48 -0.416435295311E+03 -0.18294E+00 -0.80929E-03 11838 0.944E-02 0.576E-01
RMM: 49 -0.416520502043E+03 -0.85207E-01 -0.46436E-03 11054 0.789E-02 0.475E-01
RMM: 50 -0.416527111344E+03 -0.66093E-02 -0.31796E-03 10872 0.613E-02 0.420E-01
RMM: 51 -0.416570785053E+03 -0.43674E-01 -0.50253E-03 11244 0.866E-02 0.377E-01
RMM: 52 -0.416624984160E+03 -0.54199E-01 -0.82308E-03 12108 0.905E-02 0.422E-01
RMM: 53 -0.416683375014E+03 -0.58391E-01 -0.31798E-03 11232 0.538E-02 0.323E-01
RMM: 54 -0.416720801337E+03 -0.37426E-01 -0.17588E-03 10941 0.412E-02 0.232E-01
RMM: 55 -0.416755261564E+03 -0.34460E-01 -0.14458E-03 11155 0.354E-02 0.181E-01
RMM: 56 -0.416805420633E+03 -0.50159E-01 -0.10161E-03 11216 0.328E-02 0.119E-01
RMM: 57 -0.416842861935E+03 -0.37441E-01 -0.35540E-04 10668 0.193E-02 0.103E-01
RMM: 58 -0.416875640239E+03 -0.32778E-01 -0.21193E-04 10648 0.145E-02 0.758E-02
RMM: 59 -0.416903923009E+03 -0.28283E-01 -0.16541E-04 10935 0.129E-02 0.419E-02
RMM: 60 -0.416918018517E+03 -0.14096E-01 -0.11753E-04 10731 0.115E-02 0.422E-02
RMM: 61 -0.416920950848E+03 -0.29323E-02 -0.45161E-05 8213 0.644E-03 0.511E-02
RMM: 62 -0.416922244965E+03 -0.12941E-02 -0.21602E-05 7368 0.461E-03 0.335E-02
RMM: 63 -0.416923310563E+03 -0.10656E-02 -0.20501E-05 7144 0.435E-03 0.196E-02
RMM: 64 -0.416923943736E+03 -0.63317E-03 -0.10208E-05 6601 0.340E-03 0.192E-02
RMM: 65 -0.416924226203E+03 -0.28247E-03 -0.39371E-06 6356 0.202E-03 0.210E-02
RMM: 66 -0.416924549404E+03 -0.32320E-03 -0.46765E-06 6532 0.210E-03 0.112E-02
RMM: 67 -0.416924687682E+03 -0.13828E-03 -0.36419E-06 6331 0.201E-03 0.708E-03
RMM: 68 -0.416924750064E+03 -0.62382E-04 -0.13288E-06 4133 0.122E-03 0.833E-03
RMM: 69 -0.416924812099E+03 -0.62036E-04 -0.12629E-06 5743 0.135E-03 0.279E-03
RMM: 70 -0.416924866741E+03 -0.54642E-04 -0.17068E-06 4921 0.129E-03 0.173E-02
RMM: 71 -0.416924866475E+03 0.26643E-06 -0.21826E-07 2795 0.885E-04
1 F= -.45464538E+03 E0= -.45464485E+03 d E =-.157068E-02 mag= 0.0043