iterations/neb1_max2_image02_iter13_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422545689706E+04 0.42255E+04 -0.25384E+05 8992 0.103E+03
DAV: 2 -0.103120842602E+03 -0.43286E+04 -0.39267E+04 11008 0.248E+02
DAV: 3 -0.426311302639E+03 -0.32319E+03 -0.30175E+03 10224 0.657E+01
DAV: 4 -0.434834512630E+03 -0.85232E+01 -0.84197E+01 10648 0.107E+01
DAV: 5 -0.435138604403E+03 -0.30409E+00 -0.30334E+00 11176 0.196E+00 0.993E+01
RMM: 6 -0.389643235851E+03 0.45495E+02 -0.11164E+02 9704 0.146E+01 0.738E+01
RMM: 7 -0.830563247950E+03 -0.44092E+03 -0.45813E+02 11412 0.195E+01 0.152E+02
RMM: 8 -0.492512174271E+03 0.33805E+03 -0.10701E+02 9925 0.110E+01 0.910E+01
RMM: 9 -0.425730658833E+03 0.66782E+02 -0.70551E+01 10214 0.108E+01 0.622E+01
RMM: 10 -0.371031528807E+03 0.54699E+02 -0.38179E+01 10292 0.807E+00 0.318E+01
RMM: 11 -0.383651714251E+03 -0.12620E+02 -0.18304E+01 10436 0.454E+00 0.418E+01
RMM: 12 -0.370286195118E+03 0.13366E+02 -0.50694E+00 9934 0.314E+00 0.216E+01
RMM: 13 -0.369540905214E+03 0.74529E+00 -0.13569E+00 10195 0.161E+00 0.157E+01
RMM: 14 -0.373400235325E+03 -0.38593E+01 -0.12648E+00 10305 0.148E+00 0.143E+01
RMM: 15 -0.383432282410E+03 -0.10032E+02 -0.34693E+00 11764 0.239E+00 0.152E+01
RMM: 16 -0.388649742270E+03 -0.52175E+01 -0.19275E+00 10926 0.168E+00 0.150E+01
RMM: 17 -0.389322477681E+03 -0.67274E+00 -0.80998E-01 10438 0.110E+00 0.113E+01
RMM: 18 -0.392275097741E+03 -0.29526E+01 -0.97018E-01 11056 0.111E+00 0.818E+00
RMM: 19 -0.394492723881E+03 -0.22176E+01 -0.39291E-01 10476 0.772E-01 0.715E+00
RMM: 20 -0.396176782999E+03 -0.16841E+01 -0.22593E-01 10498 0.561E-01 0.736E+00
RMM: 21 -0.398170766148E+03 -0.19940E+01 -0.50078E-01 11581 0.750E-01 0.740E+00
RMM: 22 -0.401762433870E+03 -0.35917E+01 -0.15226E+00 12993 0.117E+00 0.643E+00
RMM: 23 -0.405363575953E+03 -0.36011E+01 -0.12073E+00 12775 0.102E+00 0.536E+00
RMM: 24 -0.408248694919E+03 -0.28851E+01 -0.71503E-01 12181 0.772E-01 0.506E+00
RMM: 25 -0.409824933360E+03 -0.15762E+01 -0.32084E-01 11570 0.527E-01 0.492E+00
RMM: 26 -0.410608879481E+03 -0.78395E+00 -0.88950E-02 10829 0.285E-01 0.491E+00
RMM: 27 -0.410843987009E+03 -0.23511E+00 -0.15657E-02 10566 0.117E-01 0.493E+00
RMM: 28 -0.410814894454E+03 0.29093E-01 -0.38942E-03 10117 0.757E-02 0.488E+00
RMM: 29 -0.411071447113E+03 -0.25655E+00 -0.77976E-02 14009 0.316E-01 0.472E+00
RMM: 30 -0.411431680609E+03 -0.36023E+00 -0.42097E-01 16915 0.720E-01 0.557E+00
RMM: 31 -0.411173295293E+03 0.25839E+00 -0.12662E-01 15203 0.425E-01 0.677E+00
RMM: 32 -0.411668608640E+03 -0.49531E+00 -0.85420E-02 14136 0.362E-01 0.590E+00
RMM: 33 -0.412181965565E+03 -0.51336E+00 -0.45984E-01 16861 0.718E-01 0.625E+00
RMM: 34 -0.413302664672E+03 -0.11207E+01 -0.35534E-01 16471 0.573E-01 0.757E+00
RMM: 35 -0.413852924052E+03 -0.55026E+00 -0.17630E-02 11536 0.165E-01 0.700E+00
RMM: 36 -0.413842056536E+03 0.10868E-01 -0.37325E-03 10566 0.698E-02 0.533E+00
RMM: 37 -0.414740150893E+03 -0.89809E+00 -0.18021E-01 16587 0.471E-01 0.837E+00
RMM: 38 -0.414330392670E+03 0.40976E+00 -0.44023E-02 12676 0.208E-01 0.857E+00
RMM: 39 -0.414335093370E+03 -0.47007E-02 -0.15974E-03 10597 0.428E-02 0.856E+00
RMM: 40 -0.414487736845E+03 -0.15264E+00 -0.27079E-02 13435 0.130E-01 0.848E+00
RMM: 41 -0.414554159729E+03 -0.66423E-01 -0.23626E-01 16970 0.373E-01 0.851E+00
RMM: 42 -0.414484916446E+03 0.69243E-01 -0.16706E-01 16797 0.313E-01 0.471E+00
RMM: 43 -0.414859989086E+03 -0.37507E+00 -0.52716E-02 15377 0.208E-01 0.440E+00
RMM: 44 -0.414908690018E+03 -0.48701E-01 -0.20040E-02 14130 0.130E-01 0.428E+00
RMM: 45 -0.414802758104E+03 0.10593E+00 -0.34391E-02 14907 0.160E-01 0.423E+00
RMM: 46 -0.414637602598E+03 0.16516E+00 -0.56151E-02 15381 0.201E-01 0.432E+00
RMM: 47 -0.414302763273E+03 0.33484E+00 -0.15510E-01 15602 0.294E-01 0.448E+00
RMM: 48 -0.414038708860E+03 0.26405E+00 -0.12365E-01 14868 0.262E-01 0.445E+00
RMM: 49 -0.413979710791E+03 0.58998E-01 -0.76230E-03 11950 0.758E-02 0.433E+00
RMM: 50 -0.413813918708E+03 0.16579E+00 -0.57254E-02 14361 0.194E-01 0.411E+00
RMM: 51 -0.412670383135E+03 0.11435E+01 -0.97507E-01 17273 0.749E-01 0.706E+00
RMM: 52 -0.413037775782E+03 -0.36739E+00 -0.67879E-02 13964 0.236E-01 0.658E+00
RMM: 53 -0.413274364467E+03 -0.23659E+00 -0.94521E-02 13293 0.215E-01 0.615E+00
RMM: 54 -0.413730336636E+03 -0.45597E+00 -0.18203E-01 14344 0.281E-01 0.574E+00
RMM: 55 -0.414066577748E+03 -0.33624E+00 -0.10096E-01 13717 0.212E-01 0.541E+00
RMM: 56 -0.414294180005E+03 -0.22760E+00 -0.11290E-01 14646 0.220E-01 0.528E+00
RMM: 57 -0.414630231913E+03 -0.33605E+00 -0.13343E-01 14499 0.239E-01 0.476E+00
RMM: 58 -0.414907551761E+03 -0.27732E+00 -0.95237E-02 14842 0.196E-01 0.354E+00
RMM: 59 -0.415084272453E+03 -0.17672E+00 -0.18014E-02 13421 0.141E-01 0.390E+00
RMM: 60 -0.415250634328E+03 -0.16636E+00 -0.25949E-02 13616 0.126E-01 0.306E+00
RMM: 61 -0.415392357978E+03 -0.14172E+00 -0.18904E-02 13236 0.100E-01 0.299E+00
RMM: 62 -0.415440032566E+03 -0.47675E-01 -0.90016E-03 12455 0.697E-02 0.258E+00
RMM: 63 -0.415514127173E+03 -0.74095E-01 -0.65467E-03 11829 0.624E-02 0.209E+00
RMM: 64 -0.415615733110E+03 -0.10161E+00 -0.80151E-03 12980 0.723E-02 0.166E+00
RMM: 65 -0.415671536561E+03 -0.55803E-01 -0.57049E-03 12949 0.669E-02 0.132E+00
RMM: 66 -0.415710521854E+03 -0.38985E-01 -0.70311E-03 13780 0.774E-02 0.104E+00
RMM: 67 -0.415785318815E+03 -0.74797E-01 -0.63569E-03 13361 0.687E-02 0.738E-01
RMM: 68 -0.415854138281E+03 -0.68819E-01 -0.25505E-03 12481 0.461E-02 0.731E-01
RMM: 69 -0.415922402979E+03 -0.68265E-01 -0.12038E-02 14216 0.814E-02 0.435E-01
RMM: 70 -0.415953494782E+03 -0.31092E-01 -0.32945E-03 12433 0.463E-02 0.275E-01
RMM: 71 -0.415976301529E+03 -0.22807E-01 -0.47232E-03 12541 0.527E-02 0.295E-01
RMM: 72 -0.415995353708E+03 -0.19052E-01 -0.42106E-03 13177 0.504E-02 0.535E-01
RMM: 73 -0.416009827163E+03 -0.14473E-01 -0.11039E-03 11517 0.281E-02 0.480E-01
RMM: 74 -0.416032498769E+03 -0.22672E-01 -0.28164E-03 12434 0.379E-02 0.259E-01
RMM: 75 -0.416038465179E+03 -0.59664E-02 -0.53362E-04 10576 0.188E-02 0.164E-01
RMM: 76 -0.416039788097E+03 -0.13229E-02 -0.37059E-04 10361 0.146E-02 0.185E-01
RMM: 77 -0.416041052882E+03 -0.12648E-02 -0.62512E-05 8545 0.780E-03 0.153E-01
RMM: 78 -0.416041717304E+03 -0.66442E-03 -0.46433E-05 8130 0.602E-03 0.155E-01
RMM: 79 -0.416042836520E+03 -0.11192E-02 -0.18414E-04 8496 0.941E-03 0.102E-01
RMM: 80 -0.416043218961E+03 -0.38244E-03 -0.10347E-04 7799 0.780E-03 0.591E-02
RMM: 81 -0.416043021900E+03 0.19706E-03 -0.14446E-04 8012 0.866E-03 0.186E-02
RMM: 82 -0.416043120301E+03 -0.98400E-04 -0.96711E-06 6258 0.317E-03 0.972E-03
RMM: 83 -0.416043194625E+03 -0.74324E-04 -0.58992E-06 5611 0.241E-03 0.106E-02
RMM: 84 -0.416043263917E+03 -0.69292E-04 -0.27168E-06 5355 0.180E-03 0.127E-02
RMM: 85 -0.416043379501E+03 -0.11558E-03 -0.11960E-06 4076 0.136E-03 0.132E-02
RMM: 86 -0.416043515768E+03 -0.13627E-03 -0.17245E-06 4762 0.136E-03 0.152E-02
RMM: 87 -0.416043586934E+03 -0.71166E-04 -0.11220E-06 4118 0.118E-03 0.173E-02
RMM: 88 -0.416043621332E+03 -0.34398E-04 -0.40180E-07 3107 0.941E-04 0.140E-02
RMM: 89 -0.416043667704E+03 -0.46371E-04 -0.73332E-07 3645 0.105E-03 0.114E-02
RMM: 90 -0.416043726095E+03 -0.58391E-04 -0.86789E-07 3960 0.109E-03 0.916E-03
RMM: 91 -0.416043777443E+03 -0.51349E-04 -0.65080E-07 3739 0.103E-03 0.820E-03
RMM: 92 -0.416043814155E+03 -0.36711E-04 -0.44005E-07 3200 0.959E-04 0.743E-03
RMM: 93 -0.416043835038E+03 -0.20883E-04 -0.24116E-07 2777 0.898E-04 0.695E-03
RMM: 94 -0.416043858100E+03 -0.23063E-04 -0.11136E-07 2496 0.850E-04 0.663E-03
RMM: 95 -0.416043892122E+03 -0.34022E-04 -0.15917E-07 2659 0.870E-04 0.647E-03
RMM: 96 -0.416043909284E+03 -0.17162E-04 -0.11022E-07 2467 0.832E-04 0.625E-03
RMM: 97 -0.416043927970E+03 -0.18686E-04 -0.16072E-07 2562 0.866E-04 0.592E-03
RMM: 98 -0.416043941378E+03 -0.13408E-04 -0.11339E-07 2487 0.845E-04 0.576E-03
RMM: 99 -0.416043951445E+03 -0.10067E-04 -0.14566E-07 2624 0.874E-04 0.559E-03
RMM: 100 -0.416043959441E+03 -0.79959E-05 -0.24971E-07 2899 0.917E-04
1 F= -.45374704E+03 E0= -.45374644E+03 d E =-.179994E-02 mag= -0.0012