iterations/neb1_max2_image05_iter36_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422618862340E+04 0.42262E+04 -0.25390E+05 9000 0.103E+03
DAV: 2 -0.104749928233E+03 -0.43309E+04 -0.39287E+04 11024 0.248E+02
DAV: 3 -0.426569758796E+03 -0.32182E+03 -0.30153E+03 10224 0.656E+01
DAV: 4 -0.435064535304E+03 -0.84948E+01 -0.83939E+01 10976 0.107E+01
DAV: 5 -0.435358221043E+03 -0.29369E+00 -0.29278E+00 11272 0.193E+00 0.992E+01
RMM: 6 -0.377918854061E+03 0.57439E+02 -0.11494E+02 9676 0.145E+01 0.679E+01
RMM: 7 -0.521795950438E+03 -0.14388E+03 -0.18007E+02 10078 0.154E+01 0.942E+01
RMM: 8 -0.443476014362E+03 0.78320E+02 -0.79409E+01 10141 0.112E+01 0.642E+01
RMM: 9 -0.454570894411E+03 -0.11095E+02 -0.43917E+01 10187 0.757E+00 0.707E+01
RMM: 10 -0.398397858767E+03 0.56173E+02 -0.45203E+01 10450 0.798E+00 0.450E+01
RMM: 11 -0.377456720266E+03 0.20941E+02 -0.81391E+00 9616 0.412E+00 0.259E+01
RMM: 12 -0.376274583139E+03 0.11821E+01 -0.57706E+00 10186 0.310E+00 0.219E+01
RMM: 13 -0.375870395364E+03 0.40419E+00 -0.22661E+00 10100 0.193E+00 0.133E+01
RMM: 14 -0.378459093798E+03 -0.25887E+01 -0.10413E+00 10208 0.126E+00 0.112E+01
RMM: 15 -0.383165098078E+03 -0.47060E+01 -0.10628E+00 10520 0.130E+00 0.115E+01
RMM: 16 -0.388450674082E+03 -0.52856E+01 -0.22272E+00 11435 0.175E+00 0.937E+00
RMM: 17 -0.394176333954E+03 -0.57257E+01 -0.16708E+00 11343 0.145E+00 0.824E+00
RMM: 18 -0.395181878695E+03 -0.10055E+01 -0.26530E-01 10134 0.675E-01 0.694E+00
RMM: 19 -0.398117220901E+03 -0.29353E+01 -0.75733E-01 11427 0.972E-01 0.662E+00
RMM: 20 -0.400662002424E+03 -0.25448E+01 -0.76045E-01 11719 0.915E-01 0.614E+00
RMM: 21 -0.401413003322E+03 -0.75100E+00 -0.10066E-01 10520 0.352E-01 0.579E+00
RMM: 22 -0.403070818368E+03 -0.16578E+01 -0.29390E-01 11572 0.536E-01 0.545E+00
RMM: 23 -0.407113422574E+03 -0.40426E+01 -0.17091E+00 14156 0.126E+00 0.493E+00
RMM: 24 -0.410341895351E+03 -0.32285E+01 -0.95542E-01 13726 0.932E-01 0.575E+00
RMM: 25 -0.412077173013E+03 -0.17353E+01 -0.43044E-01 12423 0.626E-01 0.587E+00
RMM: 26 -0.412837656127E+03 -0.76048E+00 -0.13924E-01 11198 0.364E-01 0.601E+00
RMM: 27 -0.412922305755E+03 -0.84650E-01 -0.12386E-02 10481 0.116E-01 0.603E+00
RMM: 28 -0.412711924312E+03 0.21038E+00 -0.10305E-02 10270 0.125E-01 0.587E+00
RMM: 29 -0.412497424020E+03 0.21450E+00 -0.37010E-02 11777 0.239E-01 0.531E+00
RMM: 30 -0.411955591626E+03 0.54183E+00 -0.29409E-01 15594 0.662E-01 0.510E+00
RMM: 31 -0.411442608604E+03 0.51298E+00 -0.14675E-01 14545 0.476E-01 0.734E+00
RMM: 32 -0.413282207876E+03 -0.18396E+01 -0.29111E-01 15283 0.695E-01 0.458E+00
RMM: 33 -0.413220254525E+03 0.61953E-01 -0.37598E-01 16058 0.698E-01 0.581E+00
RMM: 34 -0.414020604579E+03 -0.80035E+00 -0.16746E-01 14964 0.443E-01 0.503E+00
RMM: 35 -0.414884652607E+03 -0.86405E+00 -0.78212E-02 13434 0.325E-01 0.291E+00
RMM: 36 -0.415169615777E+03 -0.28496E+00 -0.17243E-02 11007 0.164E-01 0.226E+00
RMM: 37 -0.415270009066E+03 -0.10039E+00 -0.95866E-03 10534 0.135E-01 0.206E+00
RMM: 38 -0.415744452624E+03 -0.47444E+00 -0.33278E-02 12318 0.251E-01 0.134E+00
RMM: 39 -0.416065162928E+03 -0.32071E+00 -0.26862E-02 11967 0.201E-01 0.101E+00
RMM: 40 -0.416317846826E+03 -0.25268E+00 -0.76101E-03 10761 0.101E-01 0.877E-01
RMM: 41 -0.416470812680E+03 -0.15297E+00 -0.65998E-03 10897 0.883E-02 0.773E-01
RMM: 42 -0.416604027139E+03 -0.13321E+00 -0.15151E-02 12010 0.125E-01 0.652E-01
RMM: 43 -0.416663917405E+03 -0.59890E-01 -0.69789E-03 11265 0.875E-02 0.564E-01
RMM: 44 -0.416712101197E+03 -0.48184E-01 -0.68442E-03 11446 0.794E-02 0.575E-01
RMM: 45 -0.416714261549E+03 -0.21604E-02 -0.83084E-03 11843 0.822E-02 0.476E-01
RMM: 46 -0.416824107778E+03 -0.10985E+00 -0.88053E-03 12122 0.819E-02 0.316E-01
RMM: 47 -0.416959336781E+03 -0.13523E+00 -0.84775E-03 12111 0.855E-02 0.356E-01
RMM: 48 -0.417039041766E+03 -0.79705E-01 -0.27805E-03 11187 0.433E-02 0.360E-01
RMM: 49 -0.417118577173E+03 -0.79535E-01 -0.11573E-03 10877 0.312E-02 0.256E-01
RMM: 50 -0.417161175797E+03 -0.42599E-01 -0.46054E-04 10631 0.222E-02 0.194E-01
RMM: 51 -0.417176602140E+03 -0.15426E-01 -0.24023E-04 10532 0.159E-02 0.143E-01
RMM: 52 -0.417183116705E+03 -0.65146E-02 -0.12624E-04 10436 0.122E-02 0.105E-01
RMM: 53 -0.417185874484E+03 -0.27578E-02 -0.97779E-05 10438 0.107E-02 0.715E-02
RMM: 54 -0.417187384476E+03 -0.15100E-02 -0.37144E-05 8006 0.645E-03 0.592E-02
RMM: 55 -0.417188607040E+03 -0.12226E-02 -0.29727E-05 7641 0.524E-03 0.388E-02
RMM: 56 -0.417188300244E+03 0.30680E-03 -0.21893E-05 6903 0.544E-03 0.211E-02
RMM: 57 -0.417188881790E+03 -0.58155E-03 -0.93046E-06 6690 0.338E-03 0.189E-02
RMM: 58 -0.417189133177E+03 -0.25139E-03 -0.78088E-06 6585 0.284E-03 0.100E-02
RMM: 59 -0.417189455698E+03 -0.32252E-03 -0.49808E-06 6453 0.209E-03 0.126E-02
RMM: 60 -0.417189892156E+03 -0.43646E-03 -0.40872E-06 6279 0.185E-03 0.156E-02
RMM: 61 -0.417190011160E+03 -0.11900E-03 -0.18944E-06 4522 0.133E-03 0.635E-03
RMM: 62 -0.417190218162E+03 -0.20700E-03 -0.25448E-06 6093 0.158E-03 0.113E-02
RMM: 63 -0.417190375144E+03 -0.15698E-03 -0.62688E-07 3382 0.919E-04 0.105E-02
RMM: 64 -0.417190432648E+03 -0.57503E-04 -0.93003E-08 2493 0.820E-04 0.667E-03
RMM: 65 -0.417190572995E+03 -0.14035E-03 -0.48255E-07 3401 0.984E-04 0.472E-03
RMM: 66 -0.417190719871E+03 -0.14688E-03 -0.70237E-07 3617 0.981E-04 0.283E-03
RMM: 67 -0.417190801762E+03 -0.81891E-04 -0.24857E-07 2910 0.870E-04 0.333E-03
RMM: 68 -0.417190859792E+03 -0.58030E-04 -0.47458E-07 3328 0.914E-04 0.246E-03
RMM: 69 -0.417190891814E+03 -0.32022E-04 -0.17850E-07 2695 0.828E-04 0.196E-03
RMM: 70 -0.417190925165E+03 -0.33351E-04 -0.32712E-07 3068 0.878E-04 0.197E-03
RMM: 71 -0.417190935839E+03 -0.10674E-04 -0.10111E-07 2484 0.815E-04 0.823E-04
RMM: 72 -0.417190945738E+03 -0.98994E-05 -0.12113E-07 2558 0.822E-04
1 F= -.45491226E+03 E0= -.45491190E+03 d E =-.105365E-02 mag= -0.0013