iterations/neb1_max2_image01_iter38_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422345138244E+04 0.42235E+04 -0.25383E+05 8992 0.103E+03
DAV: 2 -0.104369935335E+03 -0.43278E+04 -0.39239E+04 10992 0.248E+02
DAV: 3 -0.427291019449E+03 -0.32292E+03 -0.30154E+03 10248 0.657E+01
DAV: 4 -0.435701083063E+03 -0.84101E+01 -0.83103E+01 10672 0.107E+01
DAV: 5 -0.436005869173E+03 -0.30479E+00 -0.30399E+00 11224 0.198E+00 0.994E+01
RMM: 6 -0.389033799364E+03 0.46972E+02 -0.11136E+02 9702 0.146E+01 0.731E+01
RMM: 7 -0.802091308345E+03 -0.41306E+03 -0.43818E+02 11294 0.193E+01 0.149E+02
RMM: 8 -0.497102961625E+03 0.30499E+03 -0.11565E+02 10027 0.113E+01 0.912E+01
RMM: 9 -0.418611387625E+03 0.78492E+02 -0.66302E+01 10174 0.105E+01 0.574E+01
RMM: 10 -0.399344555948E+03 0.19267E+02 -0.41231E+01 10322 0.845E+00 0.464E+01
RMM: 11 -0.385813878380E+03 0.13531E+02 -0.24291E+01 10323 0.577E+00 0.437E+01
RMM: 12 -0.373217765601E+03 0.12596E+02 -0.77475E+00 9998 0.378E+00 0.286E+01
RMM: 13 -0.373875479914E+03 -0.65771E+00 -0.35110E+00 10177 0.250E+00 0.224E+01
RMM: 14 -0.372875300423E+03 0.10002E+01 -0.13791E+00 10143 0.156E+00 0.149E+01
RMM: 15 -0.376959819143E+03 -0.40845E+01 -0.14533E+00 10442 0.155E+00 0.122E+01
RMM: 16 -0.381954877984E+03 -0.49951E+01 -0.11946E+00 10416 0.142E+00 0.128E+01
RMM: 17 -0.387905850789E+03 -0.59510E+01 -0.22942E+00 11354 0.179E+00 0.105E+01
RMM: 18 -0.391106512731E+03 -0.32007E+01 -0.99434E-01 10649 0.119E+00 0.700E+00
RMM: 19 -0.393933248216E+03 -0.28267E+01 -0.36625E-01 10278 0.744E-01 0.662E+00
RMM: 20 -0.396974069969E+03 -0.30408E+01 -0.62894E-01 11229 0.884E-01 0.674E+00
RMM: 21 -0.400366256740E+03 -0.33922E+01 -0.10786E+00 12050 0.110E+00 0.604E+00
RMM: 22 -0.404007258945E+03 -0.36410E+01 -0.14545E+00 12513 0.117E+00 0.481E+00
RMM: 23 -0.408108507088E+03 -0.41012E+01 -0.17611E+00 12865 0.121E+00 0.620E+00
RMM: 24 -0.409569594266E+03 -0.14611E+01 -0.59363E-01 11778 0.705E-01 0.648E+00
RMM: 25 -0.409559351693E+03 0.10243E-01 -0.48585E-02 10473 0.227E-01 0.605E+00
RMM: 26 -0.409678495744E+03 -0.11914E+00 -0.14309E-02 10877 0.997E-02 0.592E+00
RMM: 27 -0.410027087879E+03 -0.34859E+00 -0.14783E-02 10866 0.116E-01 0.685E+00
RMM: 28 -0.408489090840E+03 0.15380E+01 -0.30659E-01 14973 0.575E-01 0.634E+00
RMM: 29 -0.407809321329E+03 0.67977E+00 -0.15562E-01 14484 0.443E-01 0.578E+00
RMM: 30 -0.407443208026E+03 0.36611E+00 -0.66284E-02 13085 0.319E-01 0.569E+00
RMM: 31 -0.409335503937E+03 -0.18923E+01 -0.29403E-01 14886 0.606E-01 0.625E+00
RMM: 32 -0.412469822466E+03 -0.31343E+01 -0.18454E+00 17209 0.123E+00 0.107E+01
RMM: 33 -0.411675627064E+03 0.79420E+00 -0.11512E-01 14055 0.341E-01 0.564E+00
RMM: 34 -0.415291920592E+03 -0.36163E+01 -0.90903E-01 16755 0.887E-01 0.878E+00
RMM: 35 -0.414976585742E+03 0.31533E+00 -0.24345E-02 11514 0.197E-01 0.858E+00
RMM: 36 -0.414490392591E+03 0.48619E+00 -0.45128E-02 12344 0.227E-01 0.586E+00
RMM: 37 -0.414967157090E+03 -0.47676E+00 -0.42602E-02 12019 0.207E-01 0.442E+00
RMM: 38 -0.415409525989E+03 -0.44237E+00 -0.76767E-02 13664 0.324E-01 0.391E+00
RMM: 39 -0.415633678601E+03 -0.22415E+00 -0.17285E-02 11287 0.167E-01 0.354E+00
RMM: 40 -0.415733946567E+03 -0.10027E+00 -0.10123E-02 10671 0.127E-01 0.313E+00
RMM: 41 -0.415787399499E+03 -0.53453E-01 -0.10126E-02 10837 0.119E-01 0.289E+00
RMM: 42 -0.415783910069E+03 0.34894E-02 -0.65690E-03 10666 0.922E-02 0.248E+00
RMM: 43 -0.415852676911E+03 -0.68767E-01 -0.43327E-03 10615 0.734E-02 0.205E+00
RMM: 44 -0.415971448206E+03 -0.11877E+00 -0.20190E-03 10451 0.493E-02 0.185E+00
RMM: 45 -0.416077960829E+03 -0.10651E+00 -0.41005E-03 11402 0.666E-02 0.161E+00
RMM: 46 -0.416224892311E+03 -0.14693E+00 -0.10580E-02 12785 0.101E-01 0.108E+00
RMM: 47 -0.416433820814E+03 -0.20893E+00 -0.65734E-03 11997 0.775E-02 0.725E-01
RMM: 48 -0.416622391375E+03 -0.18857E+00 -0.13986E-02 12876 0.100E-01 0.418E-01
RMM: 49 -0.416720713621E+03 -0.98322E-01 -0.50894E-03 11916 0.683E-02 0.355E-01
RMM: 50 -0.416799694522E+03 -0.78981E-01 -0.47884E-03 11917 0.615E-02 0.276E-01
RMM: 51 -0.416877993903E+03 -0.78299E-01 -0.95020E-03 12756 0.780E-02 0.207E-01
RMM: 52 -0.416916405058E+03 -0.38411E-01 -0.26382E-03 11645 0.455E-02 0.151E-01
RMM: 53 -0.416964595021E+03 -0.48190E-01 -0.24330E-03 11880 0.411E-02 0.165E-01
RMM: 54 -0.416996844608E+03 -0.32250E-01 -0.95766E-04 11233 0.282E-02 0.145E-01
RMM: 55 -0.417045115146E+03 -0.48271E-01 -0.11049E-03 11737 0.295E-02 0.125E-01
RMM: 56 -0.417073852982E+03 -0.28738E-01 -0.45885E-04 11049 0.208E-02 0.117E-01
RMM: 57 -0.417104202330E+03 -0.30349E-01 -0.53024E-04 11509 0.218E-02 0.748E-02
RMM: 58 -0.417116041822E+03 -0.11839E-01 -0.99931E-05 9229 0.100E-02 0.694E-02
RMM: 59 -0.417124069133E+03 -0.80273E-02 -0.12953E-04 9712 0.107E-02 0.107E-01
RMM: 60 -0.417124589182E+03 -0.52005E-03 -0.25711E-05 7331 0.563E-03 0.932E-02
RMM: 61 -0.417124507510E+03 0.81672E-04 -0.44059E-05 7404 0.636E-03 0.557E-02
RMM: 62 -0.417125819753E+03 -0.13122E-02 -0.18973E-05 6963 0.481E-03 0.775E-02
RMM: 63 -0.417126012802E+03 -0.19305E-03 -0.23065E-05 6956 0.428E-03 0.501E-02
RMM: 64 -0.417126356159E+03 -0.34336E-03 -0.94444E-06 6732 0.311E-03 0.437E-02
RMM: 65 -0.417126438337E+03 -0.82178E-04 -0.66081E-06 6573 0.239E-03 0.329E-02
RMM: 66 -0.417126356231E+03 0.82106E-04 -0.84587E-06 6389 0.293E-03 0.396E-02
RMM: 67 -0.417126640477E+03 -0.28425E-03 -0.60670E-06 6429 0.253E-03 0.161E-02
RMM: 68 -0.417127008311E+03 -0.36783E-03 -0.86857E-06 6765 0.266E-03 0.248E-02
RMM: 69 -0.417127020901E+03 -0.12590E-04 -0.29275E-06 4991 0.167E-03 0.128E-02
RMM: 70 -0.417127105126E+03 -0.84225E-04 -0.16914E-06 5367 0.149E-03 0.194E-02
RMM: 71 -0.417127082307E+03 0.22820E-04 -0.37447E-07 3443 0.106E-03 0.143E-02
RMM: 72 -0.417127115348E+03 -0.33041E-04 -0.30843E-07 3409 0.104E-03 0.176E-02
RMM: 73 -0.417127114476E+03 0.87151E-06 -0.22093E-06 5545 0.157E-03
1 F= -.45482504E+03 E0= -.45482657E+03 d E =0.458892E-02 mag= -0.0018