iterations/neb1_max2_image03_iter12_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422075911960E+04 0.42208E+04 -0.25379E+05 8992 0.103E+03
DAV: 2 -0.102046801871E+03 -0.43228E+04 -0.39205E+04 11000 0.248E+02
DAV: 3 -0.425714918283E+03 -0.32367E+03 -0.30207E+03 10264 0.656E+01
DAV: 4 -0.434281654348E+03 -0.85667E+01 -0.84623E+01 10664 0.108E+01
DAV: 5 -0.434576567771E+03 -0.29491E+00 -0.29417E+00 11128 0.195E+00 0.981E+01
RMM: 6 -0.389433134925E+03 0.45143E+02 -0.11116E+02 9684 0.145E+01 0.756E+01
RMM: 7 -0.828382620014E+03 -0.43895E+03 -0.43845E+02 11432 0.190E+01 0.150E+02
RMM: 8 -0.486503730218E+03 0.34188E+03 -0.10769E+02 9956 0.110E+01 0.882E+01
RMM: 9 -0.414363802408E+03 0.72140E+02 -0.71196E+01 10226 0.109E+01 0.590E+01
RMM: 10 -0.369875791829E+03 0.44488E+02 -0.33218E+01 10265 0.753E+00 0.300E+01
RMM: 11 -0.380424754176E+03 -0.10549E+02 -0.17009E+01 10378 0.480E+00 0.374E+01
RMM: 12 -0.372347584487E+03 0.80772E+01 -0.48942E+00 9982 0.304E+00 0.241E+01
RMM: 13 -0.369132006044E+03 0.32156E+01 -0.16509E+00 10173 0.177E+00 0.157E+01
RMM: 14 -0.372399466799E+03 -0.32675E+01 -0.13087E+00 10305 0.148E+00 0.133E+01
RMM: 15 -0.380600215394E+03 -0.82007E+01 -0.22786E+00 11089 0.192E+00 0.152E+01
RMM: 16 -0.385829534820E+03 -0.52293E+01 -0.24769E+00 11150 0.190E+00 0.127E+01
RMM: 17 -0.388518567635E+03 -0.26890E+01 -0.13810E+00 10788 0.142E+00 0.950E+00
RMM: 18 -0.391574133491E+03 -0.30556E+01 -0.80554E-01 10503 0.110E+00 0.734E+00
RMM: 19 -0.393377869793E+03 -0.18037E+01 -0.29739E-01 10206 0.683E-01 0.666E+00
RMM: 20 -0.395043992366E+03 -0.16661E+01 -0.27311E-01 10713 0.610E-01 0.673E+00
RMM: 21 -0.397053379788E+03 -0.20094E+01 -0.47863E-01 11545 0.763E-01 0.675E+00
RMM: 22 -0.399895850807E+03 -0.28425E+01 -0.81481E-01 12275 0.903E-01 0.634E+00
RMM: 23 -0.403768043125E+03 -0.38722E+01 -0.14024E+00 13004 0.109E+00 0.477E+00
RMM: 24 -0.407566293826E+03 -0.37983E+01 -0.13064E+00 13008 0.101E+00 0.491E+00
RMM: 25 -0.409039273942E+03 -0.14730E+01 -0.30076E-01 11518 0.517E-01 0.492E+00
RMM: 26 -0.409430447582E+03 -0.39117E+00 -0.45556E-02 10515 0.211E-01 0.489E+00
RMM: 27 -0.409291199552E+03 0.13925E+00 -0.73781E-03 10267 0.990E-02 0.486E+00
RMM: 28 -0.408770541724E+03 0.52066E+00 -0.62884E-02 11853 0.287E-01 0.442E+00
RMM: 29 -0.409238871967E+03 -0.46833E+00 -0.22322E-01 14744 0.569E-01 0.512E+00
RMM: 30 -0.409071708161E+03 0.16716E+00 -0.12739E-01 14089 0.442E-01 0.670E+00
RMM: 31 -0.409734925406E+03 -0.66322E+00 -0.27612E-02 10957 0.227E-01 0.593E+00
RMM: 32 -0.411012967320E+03 -0.12780E+01 -0.66046E-01 16040 0.862E-01 0.519E+00
RMM: 33 -0.411565467307E+03 -0.55250E+00 -0.19888E-01 14399 0.450E-01 0.516E+00
RMM: 34 -0.412270417269E+03 -0.70495E+00 -0.28638E-01 15019 0.530E-01 0.469E+00
RMM: 35 -0.413068357562E+03 -0.79794E+00 -0.71553E-02 12736 0.319E-01 0.295E+00
RMM: 36 -0.413302683662E+03 -0.23433E+00 -0.45508E-03 10326 0.887E-02 0.271E+00
RMM: 37 -0.413386720256E+03 -0.84037E-01 -0.34821E-03 10394 0.856E-02 0.252E+00
RMM: 38 -0.413729002174E+03 -0.34228E+00 -0.26858E-02 13625 0.212E-01 0.207E+00
RMM: 39 -0.413798351698E+03 -0.69350E-01 -0.13453E-02 12361 0.145E-01 0.180E+00
RMM: 40 -0.413909988312E+03 -0.11164E+00 -0.70289E-03 11388 0.106E-01 0.150E+00
RMM: 41 -0.414022831905E+03 -0.11284E+00 -0.54973E-03 11032 0.902E-02 0.118E+00
RMM: 42 -0.414193318613E+03 -0.17049E+00 -0.68371E-03 11512 0.908E-02 0.101E+00
RMM: 43 -0.414304944329E+03 -0.11163E+00 -0.63734E-03 11558 0.838E-02 0.720E-01
RMM: 44 -0.414425738827E+03 -0.12079E+00 -0.59353E-03 11646 0.789E-02 0.506E-01
RMM: 45 -0.414537771483E+03 -0.11203E+00 -0.60906E-03 11793 0.764E-02 0.384E-01
RMM: 46 -0.414628035482E+03 -0.90264E-01 -0.11361E-02 12664 0.953E-02 0.386E-01
RMM: 47 -0.414704954836E+03 -0.76919E-01 -0.65021E-03 11859 0.725E-02 0.558E-01
RMM: 48 -0.414758420121E+03 -0.53465E-01 -0.30536E-03 11143 0.547E-02 0.376E-01
RMM: 49 -0.414822857287E+03 -0.64437E-01 -0.34126E-03 11425 0.495E-02 0.294E-01
RMM: 50 -0.414846950700E+03 -0.24093E-01 -0.11458E-03 10895 0.312E-02 0.263E-01
RMM: 51 -0.414829837811E+03 0.17113E-01 -0.41355E-03 12854 0.559E-02 0.204E-01
RMM: 52 -0.414871667723E+03 -0.41830E-01 -0.12950E-03 11428 0.349E-02 0.103E-01
RMM: 53 -0.414907105066E+03 -0.35437E-01 -0.89089E-04 11385 0.251E-02 0.691E-02
RMM: 54 -0.414928226646E+03 -0.21122E-01 -0.22614E-04 9964 0.142E-02 0.508E-02
RMM: 55 -0.414948384461E+03 -0.20158E-01 -0.16901E-04 9770 0.116E-02 0.582E-02
RMM: 56 -0.414957904175E+03 -0.95197E-02 -0.12748E-04 9906 0.103E-02 0.374E-02
RMM: 57 -0.414961116379E+03 -0.32122E-02 -0.36763E-05 8166 0.593E-03 0.296E-02
RMM: 58 -0.414962775905E+03 -0.16595E-02 -0.21640E-05 7251 0.454E-03 0.206E-02
RMM: 59 -0.414964014201E+03 -0.12383E-02 -0.16972E-05 7066 0.378E-03 0.242E-02
RMM: 60 -0.414964758351E+03 -0.74415E-03 -0.10916E-05 6727 0.276E-03 0.205E-02
RMM: 61 -0.414965072530E+03 -0.31418E-03 -0.63745E-06 6509 0.215E-03 0.129E-02
RMM: 62 -0.414965280270E+03 -0.20774E-03 -0.50135E-06 6131 0.184E-03 0.912E-03
RMM: 63 -0.414965371500E+03 -0.91230E-04 -0.35130E-06 6099 0.174E-03 0.183E-02
RMM: 64 -0.414965367816E+03 0.36841E-05 -0.66150E-07 3644 0.104E-03
1 F= -.45269172E+03 E0= -.45269108E+03 d E =-.192682E-02 mag= -0.0092