iterations/neb3_max1_image01_iter21_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421605019895E+04 0.42161E+04 -0.25382E+05 9008 0.103E+03
DAV: 2 -0.105745635257E+03 -0.43218E+04 -0.39266E+04 11032 0.248E+02
DAV: 3 -0.426784274382E+03 -0.32104E+03 -0.30049E+03 10240 0.654E+01
DAV: 4 -0.435328248016E+03 -0.85440E+01 -0.84388E+01 10888 0.107E+01
DAV: 5 -0.435613056852E+03 -0.28481E+00 -0.28418E+00 11096 0.190E+00 0.992E+01
RMM: 6 -0.389143172971E+03 0.46470E+02 -0.10700E+02 9692 0.142E+01 0.748E+01
RMM: 7 -0.804628254730E+03 -0.41549E+03 -0.42417E+02 11362 0.188E+01 0.146E+02
RMM: 8 -0.493880412311E+03 0.31075E+03 -0.11149E+02 10016 0.112E+01 0.881E+01
RMM: 9 -0.404699963584E+03 0.89180E+02 -0.73275E+01 10225 0.111E+01 0.535E+01
RMM: 10 -0.385609039377E+03 0.19091E+02 -0.34842E+01 10129 0.769E+00 0.384E+01
RMM: 11 -0.380642785905E+03 0.49663E+01 -0.17560E+01 10253 0.516E+00 0.364E+01
RMM: 12 -0.376547690051E+03 0.40951E+01 -0.62887E+00 10010 0.347E+00 0.256E+01
RMM: 13 -0.373626433047E+03 0.29213E+01 -0.28853E+00 10105 0.220E+00 0.195E+01
RMM: 14 -0.374476290153E+03 -0.84986E+00 -0.12140E+00 10221 0.146E+00 0.125E+01
RMM: 15 -0.380978280077E+03 -0.65020E+01 -0.14270E+00 10535 0.157E+00 0.165E+01
RMM: 16 -0.384446230235E+03 -0.34680E+01 -0.17556E+00 10802 0.173E+00 0.119E+01
RMM: 17 -0.388208188550E+03 -0.37620E+01 -0.13238E+00 10762 0.143E+00 0.853E+00
RMM: 18 -0.392069474533E+03 -0.38613E+01 -0.80957E-01 10492 0.113E+00 0.634E+00
RMM: 19 -0.394597562084E+03 -0.25281E+01 -0.51930E-01 10579 0.904E-01 0.663E+00
RMM: 20 -0.397137616174E+03 -0.25401E+01 -0.65149E-01 11221 0.935E-01 0.764E+00
RMM: 21 -0.399036562131E+03 -0.18989E+01 -0.51428E-01 11229 0.775E-01 0.828E+00
RMM: 22 -0.402523688872E+03 -0.34871E+01 -0.11811E+00 12199 0.104E+00 0.835E+00
RMM: 23 -0.406663085769E+03 -0.41394E+01 -0.17633E+00 12977 0.123E+00 0.842E+00
RMM: 24 -0.408943460915E+03 -0.22804E+01 -0.87669E-01 12240 0.850E-01 0.714E+00
RMM: 25 -0.409816811908E+03 -0.87335E+00 -0.10754E-01 10699 0.323E-01 0.651E+00
RMM: 26 -0.409749663513E+03 0.67148E-01 -0.15812E-02 10415 0.143E-01 0.620E+00
RMM: 27 -0.409225075983E+03 0.52459E+00 -0.65607E-02 11116 0.276E-01 0.644E+00
RMM: 28 -0.408204752113E+03 0.10203E+01 -0.14473E-01 12450 0.428E-01 0.689E+00
RMM: 29 -0.407442801051E+03 0.76195E+00 -0.11040E-01 12440 0.408E-01 0.704E+00
RMM: 30 -0.407161124218E+03 0.28168E+00 -0.31854E-02 10661 0.227E-01 0.737E+00
RMM: 31 -0.411885612250E+03 -0.47245E+01 -0.19173E+00 16065 0.137E+00 0.610E+00
RMM: 32 -0.414389726094E+03 -0.25041E+01 -0.93313E-01 15918 0.909E-01 0.436E+00
RMM: 33 -0.415328426031E+03 -0.93870E+00 -0.19645E-01 13743 0.456E-01 0.332E+00
RMM: 34 -0.415446895582E+03 -0.11847E+00 -0.26865E-02 11055 0.206E-01 0.323E+00
RMM: 35 -0.415633788356E+03 -0.18689E+00 -0.32296E-02 11108 0.234E-01 0.323E+00
RMM: 36 -0.416031778199E+03 -0.39799E+00 -0.60305E-02 11784 0.301E-01 0.294E+00
RMM: 37 -0.416216783497E+03 -0.18501E+00 -0.28382E-02 10980 0.206E-01 0.195E+00
RMM: 38 -0.416446609254E+03 -0.22983E+00 -0.25466E-02 10915 0.197E-01 0.180E+00
RMM: 39 -0.416525241375E+03 -0.78632E-01 -0.59499E-03 10258 0.919E-02 0.176E+00
RMM: 40 -0.416573435460E+03 -0.48194E-01 -0.34871E-03 10390 0.716E-02 0.158E+00
RMM: 41 -0.416664635595E+03 -0.91200E-01 -0.46802E-03 10949 0.812E-02 0.128E+00
RMM: 42 -0.416799231308E+03 -0.13460E+00 -0.53760E-03 11300 0.821E-02 0.102E+00
RMM: 43 -0.416900663246E+03 -0.10143E+00 -0.29773E-03 10764 0.613E-02 0.842E-01
RMM: 44 -0.417065536416E+03 -0.16487E+00 -0.91353E-03 12421 0.102E-01 0.556E-01
RMM: 45 -0.417163727457E+03 -0.98191E-01 -0.58839E-03 12005 0.780E-02 0.448E-01
RMM: 46 -0.417216959762E+03 -0.53232E-01 -0.68910E-03 12107 0.779E-02 0.354E-01
RMM: 47 -0.417270936624E+03 -0.53977E-01 -0.90575E-03 12423 0.834E-02 0.428E-01
RMM: 48 -0.417312855599E+03 -0.41919E-01 -0.24556E-03 11143 0.449E-02 0.288E-01
RMM: 49 -0.417388923756E+03 -0.76068E-01 -0.42206E-03 11732 0.541E-02 0.279E-01
RMM: 50 -0.417442197357E+03 -0.53274E-01 -0.36181E-03 11949 0.508E-02 0.311E-01
RMM: 51 -0.417434991482E+03 0.72059E-02 -0.13673E-03 11181 0.386E-02 0.151E-01
RMM: 52 -0.417474358510E+03 -0.39367E-01 -0.79158E-04 10892 0.280E-02 0.133E-01
RMM: 53 -0.417517199276E+03 -0.42841E-01 -0.68766E-04 11156 0.223E-02 0.115E-01
RMM: 54 -0.417541155962E+03 -0.23957E-01 -0.24162E-04 10567 0.158E-02 0.848E-02
RMM: 55 -0.417566327197E+03 -0.25171E-01 -0.37882E-04 11299 0.168E-02 0.850E-02
RMM: 56 -0.417564970287E+03 0.13569E-02 -0.47762E-05 8571 0.878E-03 0.493E-02
RMM: 57 -0.417570312771E+03 -0.53425E-02 -0.77146E-05 8897 0.829E-03 0.476E-02
RMM: 58 -0.417573408193E+03 -0.30954E-02 -0.90394E-05 9093 0.775E-03 0.198E-02
RMM: 59 -0.417574316215E+03 -0.90802E-03 -0.23462E-05 7365 0.450E-03 0.219E-02
RMM: 60 -0.417575009132E+03 -0.69292E-03 -0.17365E-05 7121 0.341E-03 0.116E-02
RMM: 61 -0.417575619822E+03 -0.61069E-03 -0.14707E-05 7043 0.322E-03 0.102E-02
RMM: 62 -0.417575979093E+03 -0.35927E-03 -0.57125E-06 6183 0.205E-03 0.961E-03
RMM: 63 -0.417576282020E+03 -0.30293E-03 -0.29288E-06 4800 0.148E-03 0.958E-03
RMM: 64 -0.417576465705E+03 -0.18368E-03 -0.20739E-06 4042 0.121E-03 0.680E-03
RMM: 65 -0.417576597843E+03 -0.13214E-03 -0.19151E-06 4317 0.120E-03 0.425E-03
RMM: 66 -0.417576633729E+03 -0.35886E-04 -0.95503E-07 3448 0.997E-04 0.251E-03
RMM: 67 -0.417576654067E+03 -0.20338E-04 -0.45757E-07 3201 0.924E-04 0.264E-03
RMM: 68 -0.417576663872E+03 -0.98052E-05 -0.23332E-07 2650 0.838E-04
1 F= -.45523227E+03 E0= -.45523293E+03 d E =0.197196E-02 mag= -0.0012