iterations/neb1_max2_image01_iter3_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.423097635786E+04 0.42310E+04 -0.25393E+05 9000 0.103E+03
DAV: 2 -0.102739852639E+03 -0.43337E+04 -0.39346E+04 11000 0.248E+02
DAV: 3 -0.426020168103E+03 -0.32328E+03 -0.30210E+03 10280 0.657E+01
DAV: 4 -0.434466263799E+03 -0.84461E+01 -0.83458E+01 10768 0.106E+01
DAV: 5 -0.434760173833E+03 -0.29391E+00 -0.29316E+00 11200 0.193E+00 0.103E+02
RMM: 6 -0.389043431075E+03 0.45717E+02 -0.11155E+02 9692 0.146E+01 0.743E+01
RMM: 7 -0.860416286670E+03 -0.47137E+03 -0.52569E+02 11545 0.205E+01 0.155E+02
RMM: 8 -0.502561232320E+03 0.35786E+03 -0.11993E+02 9975 0.115E+01 0.936E+01
RMM: 9 -0.429983461924E+03 0.72578E+02 -0.70240E+01 10160 0.108E+01 0.626E+01
RMM: 10 -0.380057266712E+03 0.49926E+02 -0.42236E+01 10352 0.843E+00 0.380E+01
RMM: 11 -0.386097775895E+03 -0.60405E+01 -0.23315E+01 10406 0.544E+00 0.465E+01
RMM: 12 -0.374567240694E+03 0.11531E+02 -0.66372E+00 10021 0.350E+00 0.311E+01
RMM: 13 -0.371916341520E+03 0.26509E+01 -0.38927E+00 10193 0.270E+00 0.217E+01
RMM: 14 -0.372625719442E+03 -0.70938E+00 -0.18494E+00 10183 0.180E+00 0.137E+01
RMM: 15 -0.377369135011E+03 -0.47434E+01 -0.12599E+00 10378 0.145E+00 0.136E+01
RMM: 16 -0.380968813544E+03 -0.35997E+01 -0.13738E+00 10512 0.153E+00 0.122E+01
RMM: 17 -0.385817279487E+03 -0.48485E+01 -0.19639E+00 11123 0.170E+00 0.922E+00
RMM: 18 -0.389834449438E+03 -0.40172E+01 -0.11940E+00 10748 0.129E+00 0.733E+00
RMM: 19 -0.393097027257E+03 -0.32626E+01 -0.82806E-01 10835 0.109E+00 0.876E+00
RMM: 20 -0.396578996961E+03 -0.34820E+01 -0.11183E+00 11438 0.115E+00 0.863E+00
RMM: 21 -0.398219889934E+03 -0.16409E+01 -0.40698E-01 10814 0.709E-01 0.794E+00
RMM: 22 -0.400822689264E+03 -0.26028E+01 -0.88468E-01 11754 0.951E-01 0.750E+00
RMM: 23 -0.403764121804E+03 -0.29414E+01 -0.10645E+00 12286 0.995E-01 0.703E+00
RMM: 24 -0.405186526111E+03 -0.14224E+01 -0.29638E-01 11290 0.525E-01 0.571E+00
RMM: 25 -0.406331611175E+03 -0.11451E+01 -0.98898E-02 10710 0.310E-01 0.538E+00
RMM: 26 -0.408012389956E+03 -0.16808E+01 -0.28886E-01 12014 0.486E-01 0.539E+00
RMM: 27 -0.408354486195E+03 -0.34210E+00 -0.26526E-02 10549 0.168E-01 0.548E+00
RMM: 28 -0.407587011551E+03 0.76747E+00 -0.65408E-02 11030 0.283E-01 0.530E+00
RMM: 29 -0.407785000520E+03 -0.19799E+00 -0.15604E-01 13423 0.482E-01 0.499E+00
RMM: 30 -0.408439792092E+03 -0.65479E+00 -0.21852E-01 14096 0.539E-01 0.541E+00
RMM: 31 -0.408293299606E+03 0.14649E+00 -0.40297E-02 10835 0.266E-01 0.619E+00
RMM: 32 -0.410321953188E+03 -0.20287E+01 -0.64565E-01 15162 0.918E-01 0.479E+00
RMM: 33 -0.411774118917E+03 -0.14522E+01 -0.58561E-01 14887 0.713E-01 0.576E+00
RMM: 34 -0.413031131722E+03 -0.12570E+01 -0.27939E-01 14195 0.540E-01 0.525E+00
RMM: 35 -0.413790161036E+03 -0.75903E+00 -0.17833E-01 13154 0.449E-01 0.350E+00
RMM: 36 -0.413995734836E+03 -0.20557E+00 -0.17252E-02 10499 0.170E-01 0.312E+00
RMM: 37 -0.414137482545E+03 -0.14175E+00 -0.76371E-03 10294 0.122E-01 0.288E+00
RMM: 38 -0.414668152593E+03 -0.53067E+00 -0.47137E-02 12870 0.276E-01 0.212E+00
RMM: 39 -0.414846785117E+03 -0.17863E+00 -0.34541E-02 12568 0.222E-01 0.162E+00
RMM: 40 -0.414903996212E+03 -0.57211E-01 -0.98657E-03 10783 0.119E-01 0.163E+00
RMM: 41 -0.415010336027E+03 -0.10634E+00 -0.50792E-03 10464 0.850E-02 0.144E+00
RMM: 42 -0.415124248065E+03 -0.11391E+00 -0.10428E-02 11605 0.111E-01 0.122E+00
RMM: 43 -0.415214951811E+03 -0.90704E-01 -0.11041E-02 11869 0.111E-01 0.857E-01
RMM: 44 -0.415347211854E+03 -0.13226E+00 -0.54693E-03 11060 0.768E-02 0.640E-01
RMM: 45 -0.415470600316E+03 -0.12339E+00 -0.56168E-03 11356 0.769E-02 0.499E-01
RMM: 46 -0.415551403361E+03 -0.80803E-01 -0.11425E-02 12476 0.104E-01 0.508E-01
RMM: 47 -0.415615485603E+03 -0.64082E-01 -0.64990E-03 11690 0.782E-02 0.499E-01
RMM: 48 -0.415688046566E+03 -0.72561E-01 -0.61672E-03 11616 0.739E-02 0.431E-01
RMM: 49 -0.415757450897E+03 -0.69404E-01 -0.46483E-03 11353 0.601E-02 0.318E-01
RMM: 50 -0.415821783909E+03 -0.64333E-01 -0.41369E-03 11492 0.549E-02 0.337E-01
RMM: 51 -0.415803141688E+03 0.18642E-01 -0.48324E-03 12184 0.696E-02 0.175E-01
RMM: 52 -0.415848550428E+03 -0.45409E-01 -0.17739E-03 11116 0.406E-02 0.113E-01
RMM: 53 -0.415889756272E+03 -0.41206E-01 -0.11176E-03 11070 0.304E-02 0.962E-02
RMM: 54 -0.415924265190E+03 -0.34509E-01 -0.37166E-04 10368 0.184E-02 0.103E-01
RMM: 55 -0.415952239561E+03 -0.27974E-01 -0.25093E-04 10419 0.147E-02 0.859E-02
RMM: 56 -0.415956535696E+03 -0.42961E-02 -0.14131E-04 10446 0.134E-02 0.544E-02
RMM: 57 -0.415969562875E+03 -0.13027E-01 -0.97141E-05 9412 0.965E-03 0.453E-02
RMM: 58 -0.415976085109E+03 -0.65222E-02 -0.78186E-05 9201 0.869E-03 0.331E-02
RMM: 59 -0.415979081812E+03 -0.29967E-02 -0.56202E-05 8492 0.689E-03 0.295E-02
RMM: 60 -0.415980720881E+03 -0.16391E-02 -0.31731E-05 7661 0.459E-03 0.272E-02
RMM: 61 -0.415981672574E+03 -0.95169E-03 -0.16847E-05 7060 0.341E-03 0.181E-02
RMM: 62 -0.415982020518E+03 -0.34794E-03 -0.80923E-06 6604 0.253E-03 0.117E-02
RMM: 63 -0.415982272765E+03 -0.25225E-03 -0.28676E-06 5475 0.163E-03 0.846E-03
RMM: 64 -0.415982438105E+03 -0.16534E-03 -0.16864E-06 5241 0.143E-03 0.667E-03
RMM: 65 -0.415982573066E+03 -0.13496E-03 -0.17062E-06 4909 0.134E-03 0.537E-03
RMM: 66 -0.415982593707E+03 -0.20641E-04 -0.57586E-07 3421 0.101E-03 0.403E-03
RMM: 67 -0.415982642194E+03 -0.48487E-04 -0.11076E-06 4459 0.118E-03 0.400E-03
RMM: 68 -0.415982711027E+03 -0.68833E-04 -0.10627E-06 4612 0.115E-03 0.116E-02
RMM: 69 -0.415982743376E+03 -0.32349E-04 -0.19873E-07 2983 0.861E-04 0.988E-03
RMM: 70 -0.415982751515E+03 -0.81390E-05 -0.49663E-08 2452 0.789E-04
1 F= -.45368951E+03 E0= -.45368927E+03 d E =-.714074E-03 mag= 0.0012