iterations/neb3_max1_image02_iter28_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421792425862E+04 0.42179E+04 -0.25383E+05 9008 0.103E+03
DAV: 2 -0.105416582711E+03 -0.43233E+04 -0.39271E+04 11008 0.248E+02
DAV: 3 -0.426992153543E+03 -0.32158E+03 -0.30091E+03 10272 0.655E+01
DAV: 4 -0.435496957626E+03 -0.85048E+01 -0.84035E+01 10824 0.107E+01
DAV: 5 -0.435789224324E+03 -0.29227E+00 -0.29160E+00 11272 0.191E+00 0.100E+02
RMM: 6 -0.387917492137E+03 0.47872E+02 -0.10820E+02 9694 0.143E+01 0.722E+01
RMM: 7 -0.776033722705E+03 -0.38812E+03 -0.41952E+02 11255 0.190E+01 0.145E+02
RMM: 8 -0.496604011953E+03 0.27943E+03 -0.11399E+02 10076 0.113E+01 0.910E+01
RMM: 9 -0.406944808156E+03 0.89659E+02 -0.69021E+01 10176 0.107E+01 0.538E+01
RMM: 10 -0.395972299205E+03 0.10973E+02 -0.42682E+01 10334 0.850E+00 0.443E+01
RMM: 11 -0.390873431473E+03 0.50989E+01 -0.24197E+01 10293 0.593E+00 0.465E+01
RMM: 12 -0.375169440326E+03 0.15704E+02 -0.75432E+00 9946 0.371E+00 0.280E+01
RMM: 13 -0.375409347719E+03 -0.23991E+00 -0.32154E+00 10157 0.241E+00 0.237E+01
RMM: 14 -0.374477440967E+03 0.93191E+00 -0.13474E+00 10131 0.154E+00 0.154E+01
RMM: 15 -0.377876921322E+03 -0.33995E+01 -0.13524E+00 10476 0.151E+00 0.128E+01
RMM: 16 -0.383489243066E+03 -0.56123E+01 -0.14003E+00 10634 0.154E+00 0.143E+01
RMM: 17 -0.387296868634E+03 -0.38076E+01 -0.15709E+00 10890 0.153E+00 0.987E+00
RMM: 18 -0.390415807916E+03 -0.31189E+01 -0.67441E-01 10385 0.101E+00 0.698E+00
RMM: 19 -0.394144512062E+03 -0.37287E+01 -0.70767E-01 10888 0.981E-01 0.664E+00
RMM: 20 -0.397481571011E+03 -0.33371E+01 -0.97179E-01 11505 0.112E+00 0.710E+00
RMM: 21 -0.400225694375E+03 -0.27441E+01 -0.93545E-01 11683 0.102E+00 0.666E+00
RMM: 22 -0.402913437795E+03 -0.26877E+01 -0.79103E-01 11725 0.896E-01 0.574E+00
RMM: 23 -0.407333891725E+03 -0.44205E+01 -0.19210E+00 12847 0.125E+00 0.639E+00
RMM: 24 -0.409476593228E+03 -0.21427E+01 -0.74038E-01 11962 0.774E-01 0.699E+00
RMM: 25 -0.409625404089E+03 -0.14881E+00 -0.79860E-02 10605 0.280E-01 0.649E+00
RMM: 26 -0.409790217938E+03 -0.16481E+00 -0.16900E-02 10820 0.112E-01 0.635E+00
RMM: 27 -0.409661938513E+03 0.12828E+00 -0.56779E-03 10186 0.867E-02 0.598E+00
RMM: 28 -0.409369764510E+03 0.29217E+00 -0.50853E-02 12328 0.240E-01 0.561E+00
RMM: 29 -0.408431652398E+03 0.93811E+00 -0.29020E-01 15566 0.606E-01 0.504E+00
RMM: 30 -0.408310233701E+03 0.12142E+00 -0.11635E-01 14642 0.425E-01 0.577E+00
RMM: 31 -0.410446504866E+03 -0.21363E+01 -0.33926E-01 15455 0.670E-01 0.566E+00
RMM: 32 -0.412733742296E+03 -0.22872E+01 -0.14040E+00 17153 0.109E+00 0.617E+00
RMM: 33 -0.415128034611E+03 -0.23943E+01 -0.65198E-01 16679 0.751E-01 0.563E+00
RMM: 34 -0.415133203875E+03 -0.51693E-02 -0.87650E-02 14122 0.331E-01 0.460E+00
RMM: 35 -0.415477054388E+03 -0.34385E+00 -0.24773E-02 11901 0.203E-01 0.386E+00
RMM: 36 -0.415910821892E+03 -0.43377E+00 -0.46251E-02 12724 0.268E-01 0.378E+00
RMM: 37 -0.416183050784E+03 -0.27223E+00 -0.54728E-02 13218 0.274E-01 0.372E+00
RMM: 38 -0.416202673715E+03 -0.19623E-01 -0.28132E-02 12157 0.205E-01 0.315E+00
RMM: 39 -0.416388709201E+03 -0.18604E+00 -0.19157E-02 11535 0.159E-01 0.212E+00
RMM: 40 -0.416727688331E+03 -0.33898E+00 -0.68696E-03 10581 0.100E-01 0.176E+00
RMM: 41 -0.416827445494E+03 -0.99757E-01 -0.27493E-03 10386 0.597E-02 0.172E+00
RMM: 42 -0.416876495330E+03 -0.49050E-01 -0.45143E-03 11211 0.741E-02 0.167E+00
RMM: 43 -0.416966754497E+03 -0.90259E-01 -0.11771E-02 12595 0.112E-01 0.124E+00
RMM: 44 -0.417133172023E+03 -0.16642E+00 -0.88413E-03 12290 0.984E-02 0.903E-01
RMM: 45 -0.417298202140E+03 -0.16503E+00 -0.13677E-02 13021 0.114E-01 0.758E-01
RMM: 46 -0.417362679612E+03 -0.64477E-01 -0.10696E-02 12463 0.994E-02 0.532E-01
RMM: 47 -0.417431328456E+03 -0.68649E-01 -0.56826E-03 11519 0.766E-02 0.434E-01
RMM: 48 -0.417467708987E+03 -0.36381E-01 -0.33379E-03 11080 0.554E-02 0.342E-01
RMM: 49 -0.417537604299E+03 -0.69895E-01 -0.42386E-03 11587 0.571E-02 0.301E-01
RMM: 50 -0.417610302854E+03 -0.72699E-01 -0.48138E-03 11834 0.608E-02 0.285E-01
RMM: 51 -0.417619064525E+03 -0.87617E-02 -0.18149E-03 11112 0.421E-02 0.216E-01
RMM: 52 -0.417654143433E+03 -0.35079E-01 -0.11014E-03 10965 0.341E-02 0.133E-01
RMM: 53 -0.417678009726E+03 -0.23866E-01 -0.84020E-04 11091 0.267E-02 0.127E-01
RMM: 54 -0.417704571815E+03 -0.26562E-01 -0.36135E-04 10647 0.179E-02 0.139E-01
RMM: 55 -0.417742652144E+03 -0.38080E-01 -0.37119E-04 11056 0.175E-02 0.137E-01
RMM: 56 -0.417765396973E+03 -0.22745E-01 -0.22111E-04 10901 0.150E-02 0.830E-02
RMM: 57 -0.417782830907E+03 -0.17434E-01 -0.16948E-04 10193 0.119E-02 0.687E-02
RMM: 58 -0.417791170968E+03 -0.83401E-02 -0.16163E-04 10209 0.109E-02 0.513E-02
RMM: 59 -0.417793777882E+03 -0.26069E-02 -0.96346E-05 9658 0.940E-03 0.381E-02
RMM: 60 -0.417794579345E+03 -0.80146E-03 -0.35934E-05 8002 0.583E-03 0.249E-02
RMM: 61 -0.417795225013E+03 -0.64567E-03 -0.19185E-05 7077 0.424E-03 0.163E-02
RMM: 62 -0.417795745568E+03 -0.52055E-03 -0.13369E-05 6921 0.311E-03 0.105E-02
RMM: 63 -0.417796068653E+03 -0.32309E-03 -0.83896E-06 6701 0.240E-03 0.100E-02
RMM: 64 -0.417796374497E+03 -0.30584E-03 -0.51914E-06 5617 0.183E-03 0.103E-02
RMM: 65 -0.417796627402E+03 -0.25291E-03 -0.33308E-06 6102 0.174E-03 0.102E-02
RMM: 66 -0.417796745958E+03 -0.11856E-03 -0.13623E-06 3735 0.107E-03 0.705E-03
RMM: 67 -0.417796815645E+03 -0.69687E-04 -0.10687E-06 3884 0.116E-03 0.325E-03
RMM: 68 -0.417796899122E+03 -0.83478E-04 -0.97614E-07 3754 0.109E-03 0.183E-03
RMM: 69 -0.417796980230E+03 -0.81108E-04 -0.57813E-07 3188 0.961E-04 0.161E-03
RMM: 70 -0.417797010699E+03 -0.30468E-04 -0.28138E-07 2873 0.900E-04 0.171E-03
RMM: 71 -0.417797032524E+03 -0.21825E-04 -0.10122E-07 2442 0.835E-04 0.151E-03
RMM: 72 -0.417797062256E+03 -0.29732E-04 -0.39056E-07 3141 0.925E-04 0.932E-04
RMM: 73 -0.417797083099E+03 -0.20843E-04 -0.13743E-07 2519 0.832E-04 0.225E-03
RMM: 74 -0.417797089909E+03 -0.68098E-05 -0.33372E-08 2196 0.782E-04
1 F= -.45543746E+03 E0= -.45543799E+03 d E =0.161333E-02 mag= -0.0008