iterations/neb1_max2_image03_iter13_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422382983333E+04 0.42238E+04 -0.25382E+05 8992 0.103E+03
DAV: 2 -0.101932803466E+03 -0.43258E+04 -0.39235E+04 11000 0.248E+02
DAV: 3 -0.425708268472E+03 -0.32378E+03 -0.30226E+03 10272 0.657E+01
DAV: 4 -0.434255476927E+03 -0.85472E+01 -0.84412E+01 10672 0.107E+01
DAV: 5 -0.434552377910E+03 -0.29690E+00 -0.29616E+00 11104 0.196E+00 0.987E+01
RMM: 6 -0.388983281895E+03 0.45569E+02 -0.11107E+02 9692 0.145E+01 0.751E+01
RMM: 7 -0.830129352138E+03 -0.44115E+03 -0.44793E+02 11441 0.193E+01 0.151E+02
RMM: 8 -0.489036206755E+03 0.34109E+03 -0.10250E+02 9936 0.108E+01 0.889E+01
RMM: 9 -0.425029273746E+03 0.64007E+02 -0.71925E+01 10217 0.109E+01 0.621E+01
RMM: 10 -0.365912987528E+03 0.59116E+02 -0.34227E+01 10252 0.756E+00 0.245E+01
RMM: 11 -0.370467634433E+03 -0.45546E+01 -0.13534E+01 10308 0.428E+00 0.282E+01
RMM: 12 -0.369416632227E+03 0.10510E+01 -0.37651E+00 10090 0.262E+00 0.188E+01
RMM: 13 -0.370908574739E+03 -0.14919E+01 -0.20094E+00 10106 0.198E+00 0.144E+01
RMM: 14 -0.374819605159E+03 -0.39110E+01 -0.14337E+00 10195 0.155E+00 0.116E+01
RMM: 15 -0.377604030120E+03 -0.27844E+01 -0.82160E-01 10199 0.119E+00 0.906E+00
RMM: 16 -0.387268416284E+03 -0.96644E+01 -0.29443E+00 12003 0.200E+00 0.104E+01
RMM: 17 -0.388927724856E+03 -0.16593E+01 -0.99210E-01 10829 0.124E+00 0.795E+00
RMM: 18 -0.391367111733E+03 -0.24394E+01 -0.44660E-01 10392 0.775E-01 0.718E+00
RMM: 19 -0.393941482167E+03 -0.25744E+01 -0.54671E-01 11117 0.782E-01 0.681E+00
RMM: 20 -0.397479960424E+03 -0.35385E+01 -0.11165E+00 12076 0.106E+00 0.585E+00
RMM: 21 -0.400587856092E+03 -0.31079E+01 -0.70891E-01 11700 0.849E-01 0.480E+00
RMM: 22 -0.404862961147E+03 -0.42751E+01 -0.12220E+00 12515 0.102E+00 0.460E+00
RMM: 23 -0.408471244660E+03 -0.36083E+01 -0.14309E+00 13037 0.107E+00 0.549E+00
RMM: 24 -0.410071289273E+03 -0.16000E+01 -0.70042E-01 12141 0.751E-01 0.537E+00
RMM: 25 -0.410657820122E+03 -0.58653E+00 -0.18928E-01 11127 0.412E-01 0.502E+00
RMM: 26 -0.410647614283E+03 0.10206E-01 -0.26730E-02 10207 0.194E-01 0.496E+00
RMM: 27 -0.410521382505E+03 0.12623E+00 -0.26767E-02 10359 0.202E-01 0.468E+00
RMM: 28 -0.410124626271E+03 0.39676E+00 -0.21693E-01 13710 0.598E-01 0.485E+00
RMM: 29 -0.409296574122E+03 0.82805E+00 -0.17339E-01 13499 0.522E-01 0.638E+00
RMM: 30 -0.410059354273E+03 -0.76278E+00 -0.33734E-02 10626 0.246E-01 0.577E+00
RMM: 31 -0.410937327736E+03 -0.87797E+00 -0.51200E-01 15100 0.802E-01 0.611E+00
RMM: 32 -0.411989359513E+03 -0.10520E+01 -0.21001E-01 13816 0.494E-01 0.566E+00
RMM: 33 -0.412729303480E+03 -0.73994E+00 -0.27655E-01 14162 0.584E-01 0.323E+00
RMM: 34 -0.412980303242E+03 -0.25100E+00 -0.70922E-03 10354 0.116E-01 0.289E+00
RMM: 35 -0.413257657601E+03 -0.27735E+00 -0.21340E-02 11338 0.197E-01 0.281E+00
RMM: 36 -0.413617804390E+03 -0.36015E+00 -0.35455E-02 12166 0.251E-01 0.197E+00
RMM: 37 -0.413814973719E+03 -0.19717E+00 -0.21098E-02 11518 0.183E-01 0.172E+00
RMM: 38 -0.414034878340E+03 -0.21990E+00 -0.12955E-02 10897 0.133E-01 0.141E+00
RMM: 39 -0.414183357149E+03 -0.14848E+00 -0.99949E-03 10878 0.114E-01 0.106E+00
RMM: 40 -0.414322217795E+03 -0.13886E+00 -0.74901E-03 10951 0.994E-02 0.865E-01
RMM: 41 -0.414414215559E+03 -0.91998E-01 -0.73400E-03 11235 0.940E-02 0.719E-01
RMM: 42 -0.414515031941E+03 -0.10082E+00 -0.11597E-02 11910 0.109E-01 0.629E-01
RMM: 43 -0.414658587619E+03 -0.14356E+00 -0.23146E-02 12958 0.141E-01 0.571E-01
RMM: 44 -0.414748768366E+03 -0.90181E-01 -0.82920E-03 11733 0.855E-02 0.658E-01
RMM: 45 -0.414796013734E+03 -0.47245E-01 -0.28939E-03 10872 0.542E-02 0.490E-01
RMM: 46 -0.414896586067E+03 -0.10057E+00 -0.57495E-03 11675 0.717E-02 0.342E-01
RMM: 47 -0.414950165014E+03 -0.53579E-01 -0.27682E-03 11207 0.470E-02 0.294E-01
RMM: 48 -0.414988627236E+03 -0.38462E-01 -0.21301E-03 11278 0.412E-02 0.242E-01
RMM: 49 -0.415013209335E+03 -0.24582E-01 -0.16188E-03 11300 0.366E-02 0.184E-01
RMM: 50 -0.415044733579E+03 -0.31524E-01 -0.60842E-04 10723 0.244E-02 0.107E-01
RMM: 51 -0.415063549669E+03 -0.18816E-01 -0.44930E-04 10939 0.198E-02 0.842E-02
RMM: 52 -0.415100100336E+03 -0.36551E-01 -0.26934E-04 10634 0.152E-02 0.636E-02
RMM: 53 -0.415117418447E+03 -0.17318E-01 -0.13422E-04 9829 0.110E-02 0.485E-02
RMM: 54 -0.415124499243E+03 -0.70808E-02 -0.66099E-05 8876 0.791E-03 0.387E-02
RMM: 55 -0.415126876958E+03 -0.23777E-02 -0.30110E-05 7814 0.562E-03 0.360E-02
RMM: 56 -0.415126781308E+03 0.95650E-04 -0.20130E-05 6848 0.545E-03 0.275E-02
RMM: 57 -0.415128566333E+03 -0.17850E-02 -0.18566E-05 6977 0.435E-03 0.151E-02
RMM: 58 -0.415129743000E+03 -0.11767E-02 -0.96519E-06 6680 0.305E-03 0.138E-02
RMM: 59 -0.415130209510E+03 -0.46651E-03 -0.46293E-06 6082 0.194E-03 0.133E-02
RMM: 60 -0.415130453200E+03 -0.24369E-03 -0.47470E-06 6213 0.192E-03 0.269E-02
RMM: 61 -0.415130414277E+03 0.38923E-04 -0.87327E-07 3826 0.111E-03 0.227E-02
RMM: 62 -0.415130457240E+03 -0.42964E-04 -0.66151E-07 3534 0.105E-03 0.116E-02
RMM: 63 -0.415130577370E+03 -0.12013E-03 -0.31741E-06 6113 0.166E-03 0.941E-03
RMM: 64 -0.415130673422E+03 -0.96052E-04 -0.12360E-06 4147 0.111E-03 0.118E-02
RMM: 65 -0.415130743206E+03 -0.69783E-04 -0.45110E-07 3093 0.919E-04 0.644E-03
RMM: 66 -0.415130778568E+03 -0.35363E-04 -0.22882E-07 2814 0.882E-04 0.394E-03
RMM: 67 -0.415130808701E+03 -0.30132E-04 -0.68397E-07 3584 0.101E-03 0.457E-03
RMM: 68 -0.415130837329E+03 -0.28628E-04 -0.42889E-07 3300 0.923E-04 0.273E-03
RMM: 69 -0.415130870888E+03 -0.33559E-04 -0.29518E-07 3042 0.880E-04 0.193E-03
RMM: 70 -0.415130889086E+03 -0.18198E-04 -0.18184E-07 2790 0.854E-04 0.131E-03
RMM: 71 -0.415130894046E+03 -0.49603E-05 -0.13306E-07 2613 0.841E-04
1 F= -.45285596E+03 E0= -.45285530E+03 d E =-.199083E-02 mag= -0.0005