iterations/neb1_max2_image05_iter18_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422529103629E+04 0.42253E+04 -0.25389E+05 9000 0.103E+03
DAV: 2 -0.104804081833E+03 -0.43301E+04 -0.39299E+04 11040 0.248E+02
DAV: 3 -0.426303479743E+03 -0.32150E+03 -0.30126E+03 10216 0.656E+01
DAV: 4 -0.434808597916E+03 -0.85051E+01 -0.83978E+01 10992 0.107E+01
DAV: 5 -0.435091008130E+03 -0.28241E+00 -0.28165E+00 10960 0.190E+00 0.989E+01
RMM: 6 -0.377603984398E+03 0.57487E+02 -0.11542E+02 9688 0.146E+01 0.679E+01
RMM: 7 -0.534610705486E+03 -0.15701E+03 -0.19063E+02 10146 0.158E+01 0.964E+01
RMM: 8 -0.470943406327E+03 0.63667E+02 -0.89738E+01 10182 0.114E+01 0.744E+01
RMM: 9 -0.429042151665E+03 0.41901E+02 -0.42538E+01 10166 0.759E+00 0.601E+01
RMM: 10 -0.401555440289E+03 0.27487E+02 -0.45391E+01 10450 0.819E+00 0.470E+01
RMM: 11 -0.379249330665E+03 0.22306E+02 -0.78975E+00 9614 0.404E+00 0.303E+01
RMM: 12 -0.375324684248E+03 0.39246E+01 -0.54920E+00 10156 0.303E+00 0.236E+01
RMM: 13 -0.374499917971E+03 0.82477E+00 -0.27776E+00 10256 0.209E+00 0.145E+01
RMM: 14 -0.376836946525E+03 -0.23370E+01 -0.12872E+00 10234 0.137E+00 0.124E+01
RMM: 15 -0.381453179709E+03 -0.46162E+01 -0.10188E+00 10392 0.128E+00 0.116E+01
RMM: 16 -0.387462472922E+03 -0.60093E+01 -0.26532E+00 11572 0.191E+00 0.111E+01
RMM: 17 -0.392748508636E+03 -0.52860E+01 -0.17475E+00 11270 0.156E+00 0.950E+00
RMM: 18 -0.394020818216E+03 -0.12723E+01 -0.45478E-01 10278 0.862E-01 0.807E+00
RMM: 19 -0.397131954627E+03 -0.31111E+01 -0.84071E-01 11315 0.100E+00 0.692E+00
RMM: 20 -0.399162140068E+03 -0.20302E+01 -0.34387E-01 10800 0.646E-01 0.621E+00
RMM: 21 -0.399633451238E+03 -0.47131E+00 -0.48990E-02 10424 0.239E-01 0.609E+00
RMM: 22 -0.401331031225E+03 -0.16976E+01 -0.37456E-01 12158 0.629E-01 0.579E+00
RMM: 23 -0.404547808327E+03 -0.32168E+01 -0.12443E+00 14020 0.111E+00 0.513E+00
RMM: 24 -0.408166232961E+03 -0.36184E+01 -0.12938E+00 14227 0.108E+00 0.552E+00
RMM: 25 -0.410599890956E+03 -0.24337E+01 -0.83385E-01 13769 0.856E-01 0.567E+00
RMM: 26 -0.411777158845E+03 -0.11773E+01 -0.28343E-01 12086 0.510E-01 0.564E+00
RMM: 27 -0.412002842104E+03 -0.22568E+00 -0.12288E-02 10222 0.135E-01 0.552E+00
RMM: 28 -0.411644984216E+03 0.35786E+00 -0.63438E-02 11579 0.300E-01 0.515E+00
RMM: 29 -0.411621372915E+03 0.23611E-01 -0.31724E-02 10807 0.229E-01 0.501E+00
RMM: 30 -0.411284405443E+03 0.33697E+00 -0.12233E-01 12923 0.449E-01 0.565E+00
RMM: 31 -0.411377886932E+03 -0.93481E-01 -0.44421E-03 10062 0.955E-02 0.551E+00
RMM: 32 -0.412688749835E+03 -0.13109E+01 -0.55673E-01 16257 0.833E-01 0.568E+00
RMM: 33 -0.412676300778E+03 0.12449E-01 -0.54574E-01 16964 0.796E-01 0.430E+00
RMM: 34 -0.413682720887E+03 -0.10064E+01 -0.87715E-02 14551 0.327E-01 0.323E+00
RMM: 35 -0.413800771039E+03 -0.11805E+00 -0.71795E-03 10554 0.117E-01 0.293E+00
RMM: 36 -0.414183233938E+03 -0.38246E+00 -0.21823E-02 11794 0.199E-01 0.287E+00
RMM: 37 -0.414677043463E+03 -0.49381E+00 -0.49610E-02 13421 0.265E-01 0.154E+00
RMM: 38 -0.415245530825E+03 -0.56849E+00 -0.30884E-02 12764 0.205E-01 0.115E+00
RMM: 39 -0.415878516643E+03 -0.63299E+00 -0.28295E-02 12214 0.184E-01 0.790E-01
RMM: 40 -0.416071749204E+03 -0.19323E+00 -0.21300E-02 11712 0.145E-01 0.774E-01
RMM: 41 -0.416102383305E+03 -0.30634E-01 -0.11480E-02 11273 0.106E-01 0.715E-01
RMM: 42 -0.416195196245E+03 -0.92813E-01 -0.64860E-03 11070 0.771E-02 0.684E-01
RMM: 43 -0.416271972555E+03 -0.76776E-01 -0.10051E-02 11806 0.898E-02 0.606E-01
RMM: 44 -0.416339538713E+03 -0.67566E-01 -0.14064E-02 12280 0.105E-01 0.555E-01
RMM: 45 -0.416428128556E+03 -0.88590E-01 -0.78089E-03 11814 0.817E-02 0.387E-01
RMM: 46 -0.416505316709E+03 -0.77188E-01 -0.20539E-03 10879 0.498E-02 0.312E-01
RMM: 47 -0.416561706883E+03 -0.56390E-01 -0.18444E-03 11012 0.425E-02 0.287E-01
RMM: 48 -0.416701545085E+03 -0.13984E+00 -0.31239E-03 11695 0.446E-02 0.180E-01
RMM: 49 -0.416766715607E+03 -0.65171E-01 -0.72286E-04 10812 0.258E-02 0.118E-01
RMM: 50 -0.416781079424E+03 -0.14364E-01 -0.22267E-04 10344 0.156E-02 0.853E-02
RMM: 51 -0.416784051979E+03 -0.29726E-02 -0.15135E-04 10455 0.139E-02 0.736E-02
RMM: 52 -0.416787674555E+03 -0.36226E-02 -0.90323E-05 9709 0.102E-02 0.484E-02
RMM: 53 -0.416790790964E+03 -0.31164E-02 -0.61639E-05 8746 0.726E-03 0.304E-02
RMM: 54 -0.416792577973E+03 -0.17870E-02 -0.37227E-05 8072 0.577E-03 0.236E-02
RMM: 55 -0.416793834910E+03 -0.12569E-02 -0.26354E-05 7571 0.465E-03 0.234E-02
RMM: 56 -0.416794562922E+03 -0.72801E-03 -0.15051E-05 6924 0.369E-03 0.139E-02
RMM: 57 -0.416795318519E+03 -0.75560E-03 -0.82741E-06 6721 0.258E-03 0.930E-03
RMM: 58 -0.416795857360E+03 -0.53884E-03 -0.40814E-06 6444 0.198E-03 0.108E-02
RMM: 59 -0.416796250500E+03 -0.39314E-03 -0.25997E-06 4955 0.145E-03 0.980E-03
RMM: 60 -0.416796473359E+03 -0.22286E-03 -0.33504E-06 5572 0.154E-03 0.152E-02
RMM: 61 -0.416796400458E+03 0.72900E-04 -0.75398E-07 3661 0.104E-03 0.178E-02
RMM: 62 -0.416796401356E+03 -0.89791E-06 -0.35570E-07 3218 0.963E-04
1 F= -.45451451E+03 E0= -.45451424E+03 d E =-.807869E-03 mag= -0.0024