iterations/neb2_max2_image03_iter1_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422489288333E+04 0.42249E+04 -0.25383E+05 8992 0.103E+03
DAV: 2 -0.102441792021E+03 -0.43273E+04 -0.39255E+04 11000 0.248E+02
DAV: 3 -0.425487142030E+03 -0.32305E+03 -0.30226E+03 10280 0.657E+01
DAV: 4 -0.434056513483E+03 -0.85694E+01 -0.84593E+01 10800 0.107E+01
DAV: 5 -0.434358429035E+03 -0.30192E+00 -0.30107E+00 11168 0.196E+00 0.990E+01
RMM: 6 -0.385636094915E+03 0.48722E+02 -0.11013E+02 9693 0.145E+01 0.731E+01
RMM: 7 -0.804309570894E+03 -0.41867E+03 -0.43717E+02 11353 0.195E+01 0.158E+02
RMM: 8 -0.491383562193E+03 0.31293E+03 -0.98410E+01 9957 0.106E+01 0.897E+01
RMM: 9 -0.440038756156E+03 0.51345E+02 -0.67481E+01 10225 0.106E+01 0.667E+01
RMM: 10 -0.368072839501E+03 0.71966E+02 -0.33649E+01 10304 0.745E+00 0.217E+01
RMM: 11 -0.370638246522E+03 -0.25654E+01 -0.15266E+01 10263 0.462E+00 0.258E+01
RMM: 12 -0.370955684294E+03 -0.31744E+00 -0.42210E+00 10198 0.260E+00 0.216E+01
RMM: 13 -0.374785824169E+03 -0.38301E+01 -0.30721E+00 10213 0.247E+00 0.147E+01
RMM: 14 -0.379210216288E+03 -0.44244E+01 -0.17946E+00 10157 0.179E+00 0.149E+01
RMM: 15 -0.381357443334E+03 -0.21472E+01 -0.93819E-01 10168 0.124E+00 0.127E+01
RMM: 16 -0.387810416633E+03 -0.64530E+01 -0.21668E+00 11430 0.172E+00 0.124E+01
RMM: 17 -0.391552298329E+03 -0.37419E+01 -0.15252E+00 11068 0.143E+00 0.817E+00
RMM: 18 -0.393872635495E+03 -0.23203E+01 -0.33502E-01 10223 0.707E-01 0.733E+00
RMM: 19 -0.395293853668E+03 -0.14212E+01 -0.16782E-01 10316 0.481E-01 0.730E+00
RMM: 20 -0.398902235528E+03 -0.36084E+01 -0.11128E+00 12472 0.105E+00 0.748E+00
RMM: 21 -0.400960497178E+03 -0.20583E+01 -0.51598E-01 11775 0.741E-01 0.598E+00
RMM: 22 -0.405108473354E+03 -0.41480E+01 -0.12504E+00 12931 0.103E+00 0.455E+00
RMM: 23 -0.408638579141E+03 -0.35301E+01 -0.10668E+00 12745 0.949E-01 0.428E+00
RMM: 24 -0.410544186761E+03 -0.19056E+01 -0.62382E-01 12109 0.731E-01 0.501E+00
RMM: 25 -0.411163497214E+03 -0.61931E+00 -0.97198E-02 10763 0.310E-01 0.487E+00
RMM: 26 -0.411005660383E+03 0.15784E+00 -0.22903E-02 10213 0.177E-01 0.482E+00
RMM: 27 -0.410510916181E+03 0.49474E+00 -0.97715E-02 11508 0.362E-01 0.443E+00
RMM: 28 -0.410522852781E+03 -0.11937E-01 -0.22237E-01 13396 0.585E-01 0.541E+00
RMM: 29 -0.410068682459E+03 0.45417E+00 -0.10279E-01 11957 0.414E-01 0.703E+00
RMM: 30 -0.410843051773E+03 -0.77437E+00 -0.60316E-01 14678 0.931E-01 0.620E+00
RMM: 31 -0.411043389597E+03 -0.20034E+00 -0.47955E-01 14602 0.705E-01 0.666E+00
RMM: 32 -0.412398997074E+03 -0.13556E+01 -0.23537E-01 13298 0.503E-01 0.520E+00
RMM: 33 -0.413345851714E+03 -0.94685E+00 -0.86036E-02 11593 0.335E-01 0.357E+00
RMM: 34 -0.413606160809E+03 -0.26031E+00 -0.22954E-02 10551 0.194E-01 0.313E+00
RMM: 35 -0.413892212424E+03 -0.28605E+00 -0.30520E-02 10808 0.226E-01 0.322E+00
RMM: 36 -0.413968455079E+03 -0.76243E-01 -0.20553E-02 10618 0.188E-01 0.258E+00
RMM: 37 -0.414043987809E+03 -0.75533E-01 -0.15730E-02 10457 0.159E-01 0.187E+00
RMM: 38 -0.414316752966E+03 -0.27277E+00 -0.12802E-02 10533 0.133E-01 0.136E+00
RMM: 39 -0.414580667538E+03 -0.26391E+00 -0.53476E-03 10296 0.856E-02 0.118E+00
RMM: 40 -0.414730801983E+03 -0.15013E+00 -0.58322E-03 10906 0.824E-02 0.104E+00
RMM: 41 -0.414825533745E+03 -0.94732E-01 -0.69661E-03 11447 0.857E-02 0.808E-01
RMM: 42 -0.414917826093E+03 -0.92292E-01 -0.67920E-03 11653 0.823E-02 0.615E-01
RMM: 43 -0.415004660540E+03 -0.86834E-01 -0.27481E-02 13636 0.149E-01 0.684E-01
RMM: 44 -0.415095702294E+03 -0.91042E-01 -0.10762E-02 12251 0.929E-02 0.753E-01
RMM: 45 -0.415181950607E+03 -0.86248E-01 -0.52159E-03 11304 0.757E-02 0.433E-01
RMM: 46 -0.415240661419E+03 -0.58711E-01 -0.27671E-03 10878 0.511E-02 0.333E-01
RMM: 47 -0.415271704379E+03 -0.31043E-01 -0.17588E-03 10940 0.398E-02 0.306E-01
RMM: 48 -0.415312826096E+03 -0.41122E-01 -0.32833E-03 11888 0.538E-02 0.182E-01
RMM: 49 -0.415356030087E+03 -0.43204E-01 -0.14343E-03 11219 0.352E-02 0.176E-01
RMM: 50 -0.415407802615E+03 -0.51773E-01 -0.88807E-04 11139 0.258E-02 0.140E-01
RMM: 51 -0.415423028873E+03 -0.15226E-01 -0.50442E-04 10934 0.212E-02 0.101E-01
RMM: 52 -0.415443992379E+03 -0.20964E-01 -0.22835E-04 10566 0.146E-02 0.599E-02
RMM: 53 -0.415461340860E+03 -0.17348E-01 -0.27285E-04 11137 0.142E-02 0.369E-02
RMM: 54 -0.415466861339E+03 -0.55205E-02 -0.10725E-04 9600 0.968E-03 0.274E-02
RMM: 55 -0.415469215148E+03 -0.23538E-02 -0.55410E-05 8406 0.631E-03 0.313E-02
RMM: 56 -0.415469114889E+03 0.10026E-03 -0.14171E-05 6781 0.414E-03 0.262E-02
RMM: 57 -0.415469768596E+03 -0.65371E-03 -0.13146E-05 6897 0.326E-03 0.197E-02
RMM: 58 -0.415470210309E+03 -0.44171E-03 -0.11020E-05 6769 0.287E-03 0.147E-02
RMM: 59 -0.415470508951E+03 -0.29864E-03 -0.87143E-06 6479 0.240E-03 0.105E-02
RMM: 60 -0.415470649093E+03 -0.14014E-03 -0.32971E-06 5409 0.166E-03 0.656E-03
RMM: 61 -0.415470776014E+03 -0.12692E-03 -0.22415E-06 4799 0.138E-03 0.449E-03
RMM: 62 -0.415470828495E+03 -0.52481E-04 -0.92220E-07 3777 0.107E-03 0.334E-03
RMM: 63 -0.415470865115E+03 -0.36620E-04 -0.16559E-06 5099 0.130E-03 0.123E-02
RMM: 64 -0.415470868951E+03 -0.38359E-05 -0.68687E-08 2440 0.784E-04
1 F= -.45322799E+03 E0= -.45322753E+03 d E =-.138934E-02 mag= 0.0001