iterations/neb1_max2_image01_iter21_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422582857521E+04 0.42258E+04 -0.25386E+05 8992 0.103E+03
DAV: 2 -0.103885066768E+03 -0.43297E+04 -0.39280E+04 11000 0.248E+02
DAV: 3 -0.427039477259E+03 -0.32315E+03 -0.30193E+03 10216 0.657E+01
DAV: 4 -0.435509248789E+03 -0.84698E+01 -0.83708E+01 10800 0.107E+01
DAV: 5 -0.435800196450E+03 -0.29095E+00 -0.29021E+00 11208 0.193E+00 0.997E+01
RMM: 6 -0.389506094426E+03 0.46294E+02 -0.11172E+02 9708 0.146E+01 0.735E+01
RMM: 7 -0.821315801387E+03 -0.43181E+03 -0.45958E+02 11371 0.196E+01 0.152E+02
RMM: 8 -0.497112638301E+03 0.32420E+03 -0.11488E+02 10008 0.113E+01 0.916E+01
RMM: 9 -0.424521554955E+03 0.72591E+02 -0.66297E+01 10156 0.106E+01 0.606E+01
RMM: 10 -0.380812157885E+03 0.43709E+02 -0.39276E+01 10299 0.818E+00 0.368E+01
RMM: 11 -0.387819988427E+03 -0.70078E+01 -0.22888E+01 10404 0.549E+00 0.461E+01
RMM: 12 -0.376493336887E+03 0.11327E+02 -0.64338E+00 10007 0.345E+00 0.312E+01
RMM: 13 -0.373414560578E+03 0.30788E+01 -0.37319E+00 10181 0.264E+00 0.219E+01
RMM: 14 -0.373748472705E+03 -0.33391E+00 -0.17095E+00 10178 0.172E+00 0.137E+01
RMM: 15 -0.378119413878E+03 -0.43709E+01 -0.11649E+00 10356 0.140E+00 0.129E+01
RMM: 16 -0.382058180411E+03 -0.39388E+01 -0.13272E+00 10531 0.151E+00 0.118E+01
RMM: 17 -0.386813857338E+03 -0.47557E+01 -0.19516E+00 11205 0.169E+00 0.903E+00
RMM: 18 -0.390731449409E+03 -0.39176E+01 -0.11556E+00 10757 0.127E+00 0.697E+00
RMM: 19 -0.394003394931E+03 -0.32719E+01 -0.81485E-01 10872 0.109E+00 0.878E+00
RMM: 20 -0.397412228797E+03 -0.34088E+01 -0.10814E+00 11407 0.113E+00 0.913E+00
RMM: 21 -0.399061335412E+03 -0.16491E+01 -0.46405E-01 10915 0.743E-01 0.838E+00
RMM: 22 -0.401676182895E+03 -0.26148E+01 -0.92469E-01 11828 0.961E-01 0.746E+00
RMM: 23 -0.404624057551E+03 -0.29479E+01 -0.10085E+00 12219 0.969E-01 0.686E+00
RMM: 24 -0.405976810487E+03 -0.13528E+01 -0.24113E-01 11155 0.478E-01 0.588E+00
RMM: 25 -0.407037484912E+03 -0.10607E+01 -0.11139E-01 10843 0.323E-01 0.549E+00
RMM: 26 -0.408689700792E+03 -0.16522E+01 -0.29168E-01 12073 0.488E-01 0.532E+00
RMM: 27 -0.409127945338E+03 -0.43824E+00 -0.28367E-02 10567 0.174E-01 0.529E+00
RMM: 28 -0.408025681135E+03 0.11023E+01 -0.16714E-01 12283 0.460E-01 0.456E+00
RMM: 29 -0.408460157599E+03 -0.43448E+00 -0.13971E-01 12606 0.461E-01 0.454E+00
RMM: 30 -0.408704628253E+03 -0.24447E+00 -0.91218E-02 11819 0.378E-01 0.523E+00
RMM: 31 -0.408930290724E+03 -0.22566E+00 -0.54009E-03 10298 0.930E-02 0.522E+00
RMM: 32 -0.409393021465E+03 -0.46273E+00 -0.43428E-02 12255 0.236E-01 0.444E+00
RMM: 33 -0.409942877036E+03 -0.54986E+00 -0.12099E+00 17043 0.102E+00 0.907E+00
RMM: 34 -0.409433237245E+03 0.50964E+00 -0.38067E-02 11761 0.210E-01 0.896E+00
RMM: 35 -0.409288297849E+03 0.14494E+00 -0.76601E-03 10825 0.861E-02 0.768E+00
RMM: 36 -0.409672604703E+03 -0.38431E+00 -0.73938E-02 15069 0.296E-01 0.805E+00
RMM: 37 -0.409320512913E+03 0.35209E+00 -0.32831E-03 10649 0.800E-02 0.788E+00
RMM: 38 -0.409435437957E+03 -0.11493E+00 -0.99219E-02 16257 0.313E-01 0.657E+00
RMM: 39 -0.409032763855E+03 0.40267E+00 -0.35235E-01 17647 0.607E-01 0.760E+00
RMM: 40 -0.409580495314E+03 -0.54773E+00 -0.86519E-02 16137 0.320E-01 0.720E+00
RMM: 41 -0.410651890297E+03 -0.10714E+01 -0.85368E-02 16034 0.324E-01 0.684E+00
RMM: 42 -0.411229672694E+03 -0.57778E+00 -0.28291E-02 14510 0.199E-01 0.643E+00
RMM: 43 -0.411550465753E+03 -0.32079E+00 -0.12870E-02 13072 0.139E-01 0.593E+00
RMM: 44 -0.412064162381E+03 -0.51370E+00 -0.27593E-02 14797 0.195E-01 0.551E+00
RMM: 45 -0.412815195638E+03 -0.75103E+00 -0.40474E-02 15385 0.235E-01 0.466E+00
RMM: 46 -0.413676363784E+03 -0.86117E+00 -0.39626E-02 15191 0.230E-01 0.398E+00
RMM: 47 -0.414109299814E+03 -0.43294E+00 -0.29997E-02 14213 0.178E-01 0.404E+00
RMM: 48 -0.414345672622E+03 -0.23637E+00 -0.15514E-02 12844 0.127E-01 0.428E+00
RMM: 49 -0.414694236226E+03 -0.34856E+00 -0.23975E-02 13235 0.149E-01 0.460E+00
RMM: 50 -0.415027977876E+03 -0.33374E+00 -0.27102E-02 13446 0.154E-01 0.493E+00
RMM: 51 -0.414931016696E+03 0.96961E-01 -0.81752E-02 15704 0.268E-01 0.607E+00
RMM: 52 -0.414701072480E+03 0.22994E+00 -0.11792E-02 12012 0.122E-01 0.732E+00
RMM: 53 -0.414524998052E+03 0.17607E+00 -0.31692E-03 10984 0.742E-02 0.765E+00
RMM: 54 -0.414494108895E+03 0.30889E-01 -0.41850E-04 11496 0.283E-02 0.767E+00
RMM: 55 -0.414497488537E+03 -0.33796E-02 -0.12074E-04 9639 0.140E-02 0.766E+00
RMM: 56 -0.414435273142E+03 0.62215E-01 -0.64630E-03 16487 0.893E-02 0.755E+00
RMM: 57 -0.414783345195E+03 -0.34807E+00 -0.11507E-02 16445 0.117E-01 0.690E+00
RMM: 58 -0.414980377476E+03 -0.19703E+00 -0.59085E-03 15740 0.880E-02 0.668E+00
RMM: 59 -0.414898516220E+03 0.81861E-01 -0.19578E-03 13256 0.523E-02 0.658E+00
RMM: 60 -0.414901464693E+03 -0.29485E-02 -0.14609E-03 13553 0.397E-02 0.690E+00
RMM: 61 -0.414842586116E+03 0.58879E-01 -0.62754E-03 15941 0.873E-02 0.636E+00
RMM: 62 -0.414925081278E+03 -0.82495E-01 -0.24003E-03 13652 0.474E-02 0.690E+00
RMM: 63 -0.414902542120E+03 0.22539E-01 -0.10583E-04 9153 0.173E-02 0.690E+00
RMM: 64 -0.414959673560E+03 -0.57131E-01 -0.54493E-04 11850 0.245E-02 0.687E+00
RMM: 65 -0.415165157851E+03 -0.20548E+00 -0.62113E-03 16560 0.771E-02 0.667E+00
RMM: 66 -0.415120460393E+03 0.44697E-01 -0.48277E-02 17914 0.207E-01 0.628E+00
RMM: 67 -0.414959345991E+03 0.16111E+00 -0.14340E-02 17568 0.113E-01 0.610E+00
RMM: 68 -0.414905669302E+03 0.53677E-01 -0.74624E-03 16795 0.833E-02 0.621E+00
RMM: 69 -0.415062296919E+03 -0.15663E+00 -0.75273E-03 16317 0.839E-02 0.655E+00
RMM: 70 -0.415478496770E+03 -0.41620E+00 -0.33732E-02 17555 0.158E-01 0.741E+00
RMM: 71 -0.415582460993E+03 -0.10396E+00 -0.46891E-03 16488 0.786E-02 0.756E+00
RMM: 72 -0.415571685188E+03 0.10776E-01 -0.22548E-04 11392 0.213E-02 0.757E+00
RMM: 73 -0.415567706941E+03 0.39782E-02 -0.27854E-04 11281 0.192E-02 0.754E+00
RMM: 74 -0.415569756625E+03 -0.20497E-02 -0.32739E-03 14614 0.520E-02 0.735E+00
RMM: 75 -0.415588216662E+03 -0.18460E-01 -0.30927E-03 14228 0.471E-02 0.711E+00
RMM: 76 -0.415538688588E+03 0.49528E-01 -0.10258E+00 17920 0.765E-01 0.283E+00
RMM: 77 -0.415905416736E+03 -0.36673E+00 -0.19716E-02 17459 0.145E-01 0.253E+00
RMM: 78 -0.416021545325E+03 -0.11613E+00 -0.67410E-03 16328 0.770E-02 0.252E+00
RMM: 79 -0.416224879768E+03 -0.20333E+00 -0.13766E-02 17594 0.121E-01 0.244E+00
RMM: 80 -0.416405660836E+03 -0.18078E+00 -0.26050E-02 17864 0.161E-01 0.243E+00
RMM: 81 -0.416406600542E+03 -0.93971E-03 -0.36620E-02 17877 0.185E-01 0.274E+00
RMM: 82 -0.416532936237E+03 -0.12634E+00 -0.78230E-03 16814 0.857E-02 0.258E+00
RMM: 83 -0.416510803796E+03 0.22132E-01 -0.85201E-03 16932 0.851E-02 0.231E+00
RMM: 84 -0.416537335391E+03 -0.26532E-01 -0.13252E-02 17231 0.968E-02 0.195E+00
RMM: 85 -0.416593259969E+03 -0.55925E-01 -0.12822E-02 17195 0.924E-02 0.165E+00
RMM: 86 -0.416686393908E+03 -0.93134E-01 -0.54552E-03 16581 0.692E-02 0.143E+00
RMM: 87 -0.416725091078E+03 -0.38697E-01 -0.37493E-03 16098 0.549E-02 0.134E+00
RMM: 88 -0.416781818883E+03 -0.56728E-01 -0.61583E-03 16626 0.631E-02 0.117E+00
RMM: 89 -0.416836567661E+03 -0.54749E-01 -0.50522E-03 16214 0.554E-02 0.102E+00
RMM: 90 -0.416881458111E+03 -0.44890E-01 -0.39281E-03 15716 0.470E-02 0.875E-01
RMM: 91 -0.416892504164E+03 -0.11046E-01 -0.22081E-03 14954 0.361E-02 0.788E-01
RMM: 92 -0.416910129814E+03 -0.17626E-01 -0.27001E-03 15133 0.386E-02 0.678E-01
RMM: 93 -0.416910289646E+03 -0.15983E-03 -0.17444E-03 14192 0.302E-02 0.585E-01
RMM: 94 -0.416903926800E+03 0.63628E-02 -0.17609E-03 14189 0.293E-02 0.481E-01
RMM: 95 -0.416900422258E+03 0.35045E-02 -0.47754E-04 12063 0.162E-02 0.431E-01
RMM: 96 -0.416886032934E+03 0.14389E-01 -0.34912E-03 15538 0.420E-02 0.321E-01
RMM: 97 -0.416891612272E+03 -0.55793E-02 -0.14155E-04 10896 0.127E-02 0.292E-01
RMM: 98 -0.416892648932E+03 -0.10367E-02 -0.18545E-04 10427 0.115E-02 0.253E-01
RMM: 99 -0.416891505100E+03 0.11438E-02 -0.31362E-04 11004 0.130E-02 0.208E-01
RMM: 100 -0.416890511544E+03 0.99356E-03 -0.48687E-04 11771 0.153E-02 0.158E-01
RMM: 101 -0.416890809422E+03 -0.29788E-03 -0.15365E-04 9853 0.999E-03 0.121E-01
RMM: 102 -0.416891636455E+03 -0.82703E-03 -0.51600E-05 8176 0.657E-03 0.102E-01
RMM: 103 -0.416891945778E+03 -0.30932E-03 -0.31599E-04 10883 0.122E-02 0.552E-02
RMM: 104 -0.416891993619E+03 -0.47841E-04 -0.71422E-05 8276 0.651E-03 0.313E-02
RMM: 105 -0.416892227800E+03 -0.23418E-03 -0.20748E-05 6958 0.420E-03 0.349E-02
RMM: 106 -0.416892215088E+03 0.12712E-04 -0.70392E-06 6170 0.259E-03 0.210E-02
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RMM: 109 -0.416892925891E+03 -0.84798E-04 -0.79721E-06 6030 0.229E-03 0.242E-02
RMM: 110 -0.416893038803E+03 -0.11291E-03 -0.26702E-06 4857 0.157E-03 0.149E-02
RMM: 111 -0.416893216764E+03 -0.17796E-03 -0.37871E-06 5732 0.173E-03 0.339E-03
RMM: 112 -0.416893319851E+03 -0.10309E-03 -0.19249E-06 4600 0.132E-03 0.542E-03
RMM: 113 -0.416893402349E+03 -0.82498E-04 -0.85025E-07 3634 0.103E-03 0.545E-03
RMM: 114 -0.416893500505E+03 -0.98156E-04 -0.12395E-06 4063 0.110E-03 0.366E-03
RMM: 115 -0.416893596034E+03 -0.95529E-04 -0.15416E-06 4182 0.120E-03 0.228E-03
RMM: 116 -0.416893665573E+03 -0.69539E-04 -0.72302E-07 3326 0.981E-04 0.139E-03
RMM: 117 -0.416893761490E+03 -0.95917E-04 -0.90216E-07 3806 0.109E-03 0.387E-03
RMM: 118 -0.416893808759E+03 -0.47269E-04 -0.45026E-07 3295 0.947E-04 0.260E-03
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RMM: 120 -0.416893853525E+03 -0.13047E-04 -0.13048E-07 2665 0.836E-04 0.819E-04
RMM: 121 -0.416893863079E+03 -0.95542E-05 -0.13647E-07 2614 0.842E-04
1 F= -.45459413E+03 E0= -.45459396E+03 d E =-.515542E-03 mag= -0.0003