iterations/neb1_max2_image02_iter16_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.423056990963E+04 0.42306E+04 -0.25391E+05 9000 0.103E+03
DAV: 2 -0.102801889231E+03 -0.43334E+04 -0.39285E+04 10976 0.248E+02
DAV: 3 -0.426454345853E+03 -0.32365E+03 -0.30234E+03 10240 0.658E+01
DAV: 4 -0.434914321177E+03 -0.84600E+01 -0.83600E+01 10696 0.107E+01
DAV: 5 -0.435218242626E+03 -0.30392E+00 -0.30315E+00 11280 0.196E+00 0.997E+01
RMM: 6 -0.388815069467E+03 0.46403E+02 -0.11319E+02 9723 0.146E+01 0.735E+01
RMM: 7 -0.827442957882E+03 -0.43863E+03 -0.46985E+02 11431 0.198E+01 0.152E+02
RMM: 8 -0.494876921303E+03 0.33257E+03 -0.10928E+02 9960 0.111E+01 0.916E+01
RMM: 9 -0.433476787721E+03 0.61400E+02 -0.67187E+01 10164 0.106E+01 0.637E+01
RMM: 10 -0.374115852436E+03 0.59361E+02 -0.39172E+01 10321 0.807E+00 0.303E+01
RMM: 11 -0.388587607808E+03 -0.14472E+02 -0.19065E+01 10414 0.481E+00 0.452E+01
RMM: 12 -0.373043734080E+03 0.15544E+02 -0.49750E+00 9946 0.306E+00 0.250E+01
RMM: 13 -0.371286262050E+03 0.17575E+01 -0.19663E+00 10189 0.199E+00 0.174E+01
RMM: 14 -0.373821509387E+03 -0.25352E+01 -0.12657E+00 10183 0.150E+00 0.132E+01
RMM: 15 -0.380344594136E+03 -0.65231E+01 -0.17442E+00 10681 0.173E+00 0.150E+01
RMM: 16 -0.384621493399E+03 -0.42769E+01 -0.20223E+00 10933 0.176E+00 0.129E+01
RMM: 17 -0.387623232230E+03 -0.30017E+01 -0.12650E+00 10675 0.137E+00 0.103E+01
RMM: 18 -0.391659529196E+03 -0.40363E+01 -0.12325E+00 11009 0.131E+00 0.965E+00
RMM: 19 -0.394615197056E+03 -0.29557E+01 -0.94653E-01 10990 0.113E+00 0.735E+00
RMM: 20 -0.396676643910E+03 -0.20614E+01 -0.36970E-01 10505 0.720E-01 0.674E+00
RMM: 21 -0.398427901882E+03 -0.17513E+01 -0.36441E-01 10915 0.683E-01 0.696E+00
RMM: 22 -0.400948161505E+03 -0.25203E+01 -0.86036E-01 12023 0.965E-01 0.735E+00
RMM: 23 -0.403465364313E+03 -0.25172E+01 -0.98036E-01 12333 0.938E-01 0.596E+00
RMM: 24 -0.406745013738E+03 -0.32796E+01 -0.11484E+00 12723 0.978E-01 0.533E+00
RMM: 25 -0.408853128944E+03 -0.21081E+01 -0.49352E-01 11767 0.657E-01 0.474E+00
RMM: 26 -0.410051014125E+03 -0.11979E+01 -0.12299E-01 10880 0.337E-01 0.463E+00
RMM: 27 -0.410653223818E+03 -0.60221E+00 -0.63929E-02 10793 0.238E-01 0.469E+00
RMM: 28 -0.410917516006E+03 -0.26429E+00 -0.18565E-02 10547 0.127E-01 0.478E+00
RMM: 29 -0.410496331673E+03 0.42118E+00 -0.84968E-02 12099 0.346E-01 0.471E+00
RMM: 30 -0.410494272442E+03 0.20592E-02 -0.98134E-02 12758 0.389E-01 0.475E+00
RMM: 31 -0.411141037728E+03 -0.64677E+00 -0.20695E-01 14398 0.530E-01 0.581E+00
RMM: 32 -0.411320941981E+03 -0.17990E+00 -0.16470E-02 10469 0.170E-01 0.629E+00
RMM: 33 -0.411974088525E+03 -0.65315E+00 -0.64767E-01 16060 0.918E-01 0.612E+00
RMM: 34 -0.412630217134E+03 -0.65613E+00 -0.36261E-01 15377 0.596E-01 0.983E+00
RMM: 35 -0.413645843347E+03 -0.10156E+01 -0.21215E-02 11075 0.196E-01 0.994E+00
RMM: 36 -0.413392702518E+03 0.25314E+00 -0.53214E-02 12624 0.218E-01 0.732E+00
RMM: 37 -0.413068046334E+03 0.32466E+00 -0.14531E-01 14750 0.459E-01 0.618E+00
RMM: 38 -0.413250892530E+03 -0.18285E+00 -0.19818E-02 11273 0.182E-01 0.520E+00
RMM: 39 -0.413402132532E+03 -0.15124E+00 -0.76662E-03 10546 0.111E-01 0.487E+00
RMM: 40 -0.413900307253E+03 -0.49817E+00 -0.26201E-02 12361 0.192E-01 0.533E+00
RMM: 41 -0.414100959991E+03 -0.20065E+00 -0.57303E-02 13621 0.257E-01 0.389E+00
RMM: 42 -0.414428322104E+03 -0.32736E+00 -0.21903E-02 12264 0.167E-01 0.358E+00
RMM: 43 -0.414692354199E+03 -0.26403E+00 -0.94035E-03 11057 0.108E-01 0.305E+00
RMM: 44 -0.414948579189E+03 -0.25622E+00 -0.64462E-03 10725 0.892E-02 0.257E+00
RMM: 45 -0.415155852907E+03 -0.20727E+00 -0.59029E-03 10894 0.846E-02 0.204E+00
RMM: 46 -0.415328656968E+03 -0.17280E+00 -0.63485E-03 10976 0.865E-02 0.155E+00
RMM: 47 -0.415486478100E+03 -0.15782E+00 -0.32870E-03 10520 0.629E-02 0.136E+00
RMM: 48 -0.415554991548E+03 -0.68513E-01 -0.49646E-03 11064 0.712E-02 0.117E+00
RMM: 49 -0.415601890865E+03 -0.46899E-01 -0.77444E-03 11627 0.757E-02 0.892E-01
RMM: 50 -0.415655786399E+03 -0.53896E-01 -0.85769E-03 12449 0.867E-02 0.621E-01
RMM: 51 -0.415720853941E+03 -0.65068E-01 -0.15135E-02 13367 0.108E-01 0.474E-01
RMM: 52 -0.415773527804E+03 -0.52674E-01 -0.29075E-03 11377 0.548E-02 0.504E-01
RMM: 53 -0.415857569725E+03 -0.84042E-01 -0.56840E-03 12118 0.639E-02 0.407E-01
RMM: 54 -0.415914390860E+03 -0.56821E-01 -0.44447E-03 12071 0.592E-02 0.305E-01
RMM: 55 -0.415950344000E+03 -0.35953E-01 -0.25977E-03 11607 0.464E-02 0.215E-01
RMM: 56 -0.415950246817E+03 0.97182E-04 -0.16880E-03 11160 0.499E-02 0.206E-01
RMM: 57 -0.415995865685E+03 -0.45619E-01 -0.15387E-03 11398 0.377E-02 0.165E-01
RMM: 58 -0.416037422553E+03 -0.41557E-01 -0.11147E-03 11247 0.294E-02 0.132E-01
RMM: 59 -0.416069972235E+03 -0.32550E-01 -0.52059E-04 10865 0.211E-02 0.117E-01
RMM: 60 -0.416097165250E+03 -0.27193E-01 -0.31166E-04 10852 0.168E-02 0.438E-02
RMM: 61 -0.416121666573E+03 -0.24501E-01 -0.28475E-04 10673 0.144E-02 0.429E-02
RMM: 62 -0.416135124290E+03 -0.13458E-01 -0.11669E-04 9799 0.102E-02 0.470E-02
RMM: 63 -0.416139478063E+03 -0.43538E-02 -0.54565E-05 8609 0.660E-03 0.367E-02
RMM: 64 -0.416141813081E+03 -0.23350E-02 -0.29925E-05 7723 0.475E-03 0.238E-02
RMM: 65 -0.416142961585E+03 -0.11485E-02 -0.13617E-05 6821 0.342E-03 0.320E-02
RMM: 66 -0.416143544124E+03 -0.58254E-03 -0.72600E-06 6552 0.245E-03 0.239E-02
RMM: 67 -0.416143784920E+03 -0.24080E-03 -0.28776E-06 5442 0.168E-03 0.168E-02
RMM: 68 -0.416144077659E+03 -0.29274E-03 -0.26427E-06 5698 0.161E-03 0.144E-02
RMM: 69 -0.416144290277E+03 -0.21262E-03 -0.29812E-06 5821 0.159E-03 0.117E-02
RMM: 70 -0.416144495106E+03 -0.20483E-03 -0.37945E-06 6367 0.194E-03 0.244E-02
RMM: 71 -0.416144426116E+03 0.68991E-04 -0.19439E-06 5976 0.156E-03 0.220E-02
RMM: 72 -0.416144467501E+03 -0.41385E-04 -0.37817E-07 3149 0.873E-04 0.171E-02
RMM: 73 -0.416144556251E+03 -0.88750E-04 -0.15565E-06 5376 0.134E-03 0.720E-03
RMM: 74 -0.416144669940E+03 -0.11369E-03 -0.73052E-07 4110 0.111E-03 0.119E-02
RMM: 75 -0.416144737170E+03 -0.67230E-04 -0.50825E-07 3584 0.977E-04 0.139E-02
RMM: 76 -0.416144792253E+03 -0.55083E-04 -0.44993E-07 3356 0.902E-04 0.133E-02
RMM: 77 -0.416144843358E+03 -0.51105E-04 -0.32045E-07 3081 0.852E-04 0.108E-02
RMM: 78 -0.416144892941E+03 -0.49583E-04 -0.74525E-07 3675 0.966E-04 0.914E-03
RMM: 79 -0.416144949239E+03 -0.56298E-04 -0.74181E-07 3658 0.976E-04 0.637E-03
RMM: 80 -0.416144983381E+03 -0.34142E-04 -0.49988E-07 3256 0.907E-04 0.520E-03
RMM: 81 -0.416144616485E+03 0.36690E-03 -0.19815E-05 6724 0.302E-03 0.254E-03
RMM: 82 -0.416144859607E+03 -0.24312E-03 -0.15103E-06 4688 0.136E-03 0.271E-03
RMM: 83 -0.416144937254E+03 -0.77647E-04 -0.50585E-07 3326 0.926E-04 0.242E-03
RMM: 84 -0.416144993492E+03 -0.56238E-04 -0.65256E-07 3557 0.965E-04 0.387E-03
RMM: 85 -0.416145012853E+03 -0.19360E-04 -0.30335E-07 2940 0.874E-04 0.455E-03
RMM: 86 -0.416145033887E+03 -0.21035E-04 -0.26720E-07 2987 0.881E-04 0.363E-03
RMM: 87 -0.416145048350E+03 -0.14463E-04 -0.31283E-07 3020 0.893E-04 0.239E-03
RMM: 88 -0.416145050201E+03 -0.18511E-05 -0.53217E-08 2377 0.799E-04
1 F= -.45384734E+03 E0= -.45384678E+03 d E =-.167917E-02 mag= 0.0004