iterations/neb1_max2_image03_iter15_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422778416014E+04 0.42278E+04 -0.25390E+05 9000 0.103E+03
DAV: 2 -0.103135310719E+03 -0.43309E+04 -0.39306E+04 11000 0.248E+02
DAV: 3 -0.426249364363E+03 -0.32311E+03 -0.30191E+03 10208 0.657E+01
DAV: 4 -0.434783942657E+03 -0.85346E+01 -0.84281E+01 10848 0.107E+01
DAV: 5 -0.435075822799E+03 -0.29188E+00 -0.29117E+00 11080 0.193E+00 0.992E+01
RMM: 6 -0.388215088790E+03 0.46861E+02 -0.11292E+02 9727 0.146E+01 0.733E+01
RMM: 7 -0.824681296300E+03 -0.43647E+03 -0.46255E+02 11369 0.197E+01 0.154E+02
RMM: 8 -0.495056675698E+03 0.32962E+03 -0.10398E+02 9928 0.109E+01 0.913E+01
RMM: 9 -0.442231014063E+03 0.52826E+02 -0.66383E+01 10183 0.105E+01 0.678E+01
RMM: 10 -0.371880372891E+03 0.70351E+02 -0.37800E+01 10320 0.788E+00 0.252E+01
RMM: 11 -0.374449080938E+03 -0.25687E+01 -0.15487E+01 10347 0.437E+00 0.346E+01
RMM: 12 -0.371846008884E+03 0.26031E+01 -0.40837E+00 10034 0.279E+00 0.215E+01
RMM: 13 -0.373269212209E+03 -0.14232E+01 -0.21899E+00 10120 0.209E+00 0.152E+01
RMM: 14 -0.376715537889E+03 -0.34463E+01 -0.12567E+00 10180 0.151E+00 0.127E+01
RMM: 15 -0.379171545011E+03 -0.24560E+01 -0.74929E-01 10210 0.115E+00 0.101E+01
RMM: 16 -0.387216912815E+03 -0.80454E+01 -0.22928E+00 11746 0.180E+00 0.120E+01
RMM: 17 -0.390415734795E+03 -0.31988E+01 -0.15150E+00 11251 0.148E+00 0.101E+01
RMM: 18 -0.392609486904E+03 -0.21938E+01 -0.48340E-01 10394 0.832E-01 0.893E+00
RMM: 19 -0.394612717168E+03 -0.20032E+01 -0.35063E-01 10699 0.646E-01 0.805E+00
RMM: 20 -0.396936671623E+03 -0.23240E+01 -0.47219E-01 11401 0.729E-01 0.745E+00
RMM: 21 -0.399683348204E+03 -0.27467E+01 -0.67829E-01 12002 0.850E-01 0.667E+00
RMM: 22 -0.405260532693E+03 -0.55772E+01 -0.23342E+00 13506 0.137E+00 0.505E+00
RMM: 23 -0.408719387062E+03 -0.34589E+01 -0.98564E-01 12573 0.921E-01 0.476E+00
RMM: 24 -0.410703057662E+03 -0.19837E+01 -0.56192E-01 11892 0.682E-01 0.522E+00
RMM: 25 -0.411067799912E+03 -0.36474E+00 -0.50699E-02 10486 0.231E-01 0.511E+00
RMM: 26 -0.410779940224E+03 0.28786E+00 -0.33520E-02 10271 0.212E-01 0.498E+00
RMM: 27 -0.410276313824E+03 0.50363E+00 -0.12453E-01 11887 0.421E-01 0.443E+00
RMM: 28 -0.410738957801E+03 -0.46264E+00 -0.17983E-01 13217 0.507E-01 0.493E+00
RMM: 29 -0.410383971815E+03 0.35499E+00 -0.14528E-01 12628 0.481E-01 0.674E+00
RMM: 30 -0.411230547659E+03 -0.84658E+00 -0.96090E-02 11507 0.413E-01 0.562E+00
RMM: 31 -0.411933169007E+03 -0.70262E+00 -0.65485E-01 14708 0.837E-01 0.591E+00
RMM: 32 -0.412735186676E+03 -0.80202E+00 -0.30135E-01 13687 0.545E-01 0.617E+00
RMM: 33 -0.413518035976E+03 -0.78285E+00 -0.12732E-01 12009 0.398E-01 0.468E+00
RMM: 34 -0.414113355418E+03 -0.59532E+00 -0.25108E-02 10558 0.192E-01 0.387E+00
RMM: 35 -0.414269602568E+03 -0.15625E+00 -0.98745E-03 10273 0.129E-01 0.360E+00
RMM: 36 -0.414545088062E+03 -0.27549E+00 -0.24041E-02 11375 0.205E-01 0.291E+00
RMM: 37 -0.414772850059E+03 -0.22776E+00 -0.29464E-02 11707 0.217E-01 0.186E+00
RMM: 38 -0.414938311431E+03 -0.16546E+00 -0.11843E-02 10720 0.132E-01 0.183E+00
RMM: 39 -0.415004278897E+03 -0.65967E-01 -0.95146E-03 10671 0.116E-01 0.130E+00
RMM: 40 -0.415260677861E+03 -0.25640E+00 -0.13233E-02 11383 0.125E-01 0.101E+00
RMM: 41 -0.415379892865E+03 -0.11922E+00 -0.37590E-03 10520 0.685E-02 0.900E-01
RMM: 42 -0.415448600842E+03 -0.68708E-01 -0.34943E-03 10840 0.625E-02 0.832E-01
RMM: 43 -0.415510175797E+03 -0.61575E-01 -0.85953E-03 12223 0.933E-02 0.602E-01
RMM: 44 -0.415605115872E+03 -0.94940E-01 -0.13993E-02 12930 0.112E-01 0.497E-01
RMM: 45 -0.415679186461E+03 -0.74071E-01 -0.74000E-03 11855 0.804E-02 0.456E-01
RMM: 46 -0.415741725625E+03 -0.62539E-01 -0.40663E-03 11282 0.606E-02 0.367E-01
RMM: 47 -0.415802333720E+03 -0.60608E-01 -0.41755E-03 11422 0.567E-02 0.336E-01
RMM: 48 -0.415854028048E+03 -0.51694E-01 -0.29422E-03 11367 0.458E-02 0.284E-01
RMM: 49 -0.415889630501E+03 -0.35602E-01 -0.20058E-03 11384 0.397E-02 0.186E-01
RMM: 50 -0.415914902976E+03 -0.25272E-01 -0.75068E-04 10825 0.239E-02 0.148E-01
RMM: 51 -0.415941774953E+03 -0.26872E-01 -0.72267E-04 11282 0.237E-02 0.122E-01
RMM: 52 -0.415984923957E+03 -0.43149E-01 -0.64697E-04 11448 0.224E-02 0.942E-02
RMM: 53 -0.416007246031E+03 -0.22322E-01 -0.26288E-04 10842 0.149E-02 0.759E-02
RMM: 54 -0.416015703164E+03 -0.84571E-02 -0.15135E-04 10090 0.119E-02 0.625E-02
RMM: 55 -0.416017271474E+03 -0.15683E-02 -0.43067E-05 8313 0.697E-03 0.511E-02
RMM: 56 -0.416015954379E+03 0.13171E-02 -0.29880E-05 7467 0.594E-03 0.266E-02
RMM: 57 -0.416017626607E+03 -0.16722E-02 -0.22821E-05 7299 0.494E-03 0.262E-02
RMM: 58 -0.416018751812E+03 -0.11252E-02 -0.21699E-05 7253 0.389E-03 0.208E-02
RMM: 59 -0.416019258556E+03 -0.50674E-03 -0.10372E-05 6714 0.300E-03 0.107E-02
RMM: 60 -0.416019870938E+03 -0.61238E-03 -0.98754E-06 6517 0.234E-03 0.644E-03
RMM: 61 -0.416020173530E+03 -0.30259E-03 -0.23637E-06 4653 0.144E-03 0.560E-03
RMM: 62 -0.416020391203E+03 -0.21767E-03 -0.16702E-06 4176 0.124E-03 0.390E-03
RMM: 63 -0.416020603157E+03 -0.21195E-03 -0.31696E-06 6223 0.166E-03 0.183E-02
RMM: 64 -0.416020629898E+03 -0.26742E-04 -0.33455E-07 3017 0.846E-04 0.174E-02
RMM: 65 -0.416020627123E+03 0.27759E-05 -0.38372E-08 2351 0.740E-04
1 F= -.45373237E+03 E0= -.45373169E+03 d E =-.203042E-02 mag= -0.0027