iterations/neb3_max1_image01_iter16_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422437754798E+04 0.42244E+04 -0.25388E+05 9008 0.103E+03
DAV: 2 -0.104143544513E+03 -0.43285E+04 -0.39300E+04 11000 0.248E+02
DAV: 3 -0.426062802454E+03 -0.32192E+03 -0.30139E+03 10304 0.656E+01
DAV: 4 -0.434524464451E+03 -0.84617E+01 -0.83543E+01 10880 0.107E+01
DAV: 5 -0.434812895453E+03 -0.28843E+00 -0.28761E+00 11264 0.191E+00 0.102E+02
RMM: 6 -0.380681322552E+03 0.54132E+02 -0.10852E+02 9705 0.142E+01 0.695E+01
RMM: 7 -0.680492080879E+03 -0.29981E+03 -0.30989E+02 10778 0.179E+01 0.130E+02
RMM: 8 -0.519784644819E+03 0.16071E+03 -0.12041E+02 10252 0.116E+01 0.927E+01
RMM: 9 -0.391904645385E+03 0.12788E+03 -0.62842E+01 10236 0.101E+01 0.433E+01
RMM: 10 -0.383952928307E+03 0.79517E+01 -0.33696E+01 10168 0.758E+00 0.336E+01
RMM: 11 -0.399750647448E+03 -0.15798E+02 -0.19146E+01 10286 0.548E+00 0.489E+01
RMM: 12 -0.377171456244E+03 0.22579E+02 -0.59693E+00 9734 0.344E+00 0.265E+01
RMM: 13 -0.374318309602E+03 0.28531E+01 -0.23394E+00 10054 0.201E+00 0.194E+01
RMM: 14 -0.376234036052E+03 -0.19157E+01 -0.15640E+00 10354 0.162E+00 0.127E+01
RMM: 15 -0.381450710929E+03 -0.52167E+01 -0.14534E+00 10535 0.156E+00 0.164E+01
RMM: 16 -0.384908925029E+03 -0.34582E+01 -0.11459E+00 10569 0.138E+00 0.185E+01
RMM: 17 -0.386257741267E+03 -0.13488E+01 -0.65637E-01 10263 0.104E+00 0.149E+01
RMM: 18 -0.388656150903E+03 -0.23984E+01 -0.93124E-01 11000 0.114E+00 0.957E+00
RMM: 19 -0.392071638886E+03 -0.34155E+01 -0.76865E-01 11040 0.106E+00 0.631E+00
RMM: 20 -0.396367491306E+03 -0.42959E+01 -0.11289E+00 11596 0.121E+00 0.628E+00
RMM: 21 -0.398987049971E+03 -0.26196E+01 -0.70714E-01 11272 0.929E-01 0.541E+00
RMM: 22 -0.402625569369E+03 -0.36385E+01 -0.10233E+00 11874 0.994E-01 0.507E+00
RMM: 23 -0.407001180623E+03 -0.43756E+01 -0.17061E+00 12685 0.117E+00 0.494E+00
RMM: 24 -0.410710572592E+03 -0.37094E+01 -0.21200E+00 13268 0.124E+00 0.603E+00
RMM: 25 -0.412442219513E+03 -0.17316E+01 -0.74829E-01 11988 0.750E-01 0.569E+00
RMM: 26 -0.412894455552E+03 -0.45224E+00 -0.39805E-02 10666 0.210E-01 0.549E+00
RMM: 27 -0.413018087725E+03 -0.12363E+00 -0.11935E-02 10892 0.999E-02 0.548E+00
RMM: 28 -0.413746361554E+03 -0.72827E+00 -0.14523E-01 13277 0.355E-01 0.502E+00
RMM: 29 -0.414121785261E+03 -0.37542E+00 -0.31969E-01 15289 0.636E-01 0.409E+00
RMM: 30 -0.414353381337E+03 -0.23160E+00 -0.66135E-02 12644 0.311E-01 0.345E+00
RMM: 31 -0.414958680473E+03 -0.60530E+00 -0.57864E-02 12198 0.296E-01 0.294E+00
RMM: 32 -0.415668010423E+03 -0.70933E+00 -0.64211E-02 12457 0.315E-01 0.262E+00
RMM: 33 -0.415989014856E+03 -0.32100E+00 -0.49234E-02 12022 0.274E-01 0.231E+00
RMM: 34 -0.416054347846E+03 -0.65333E-01 -0.17547E-02 10811 0.169E-01 0.207E+00
RMM: 35 -0.416178976908E+03 -0.12463E+00 -0.77803E-03 10403 0.108E-01 0.180E+00
RMM: 36 -0.416315482966E+03 -0.13651E+00 -0.64923E-03 10564 0.941E-02 0.154E+00
RMM: 37 -0.416399226012E+03 -0.83743E-01 -0.84445E-03 11113 0.103E-01 0.116E+00
RMM: 38 -0.416487223396E+03 -0.87997E-01 -0.30632E-03 10505 0.604E-02 0.985E-01
RMM: 39 -0.416568771057E+03 -0.81548E-01 -0.38660E-03 11029 0.637E-02 0.908E-01
RMM: 40 -0.416611882918E+03 -0.43112E-01 -0.53810E-03 11790 0.732E-02 0.845E-01
RMM: 41 -0.416654573727E+03 -0.42691E-01 -0.67509E-03 12182 0.799E-02 0.591E-01
RMM: 42 -0.416770824856E+03 -0.11625E+00 -0.11325E-02 12842 0.964E-02 0.418E-01
RMM: 43 -0.416839046918E+03 -0.68222E-01 -0.68027E-03 12089 0.777E-02 0.476E-01
RMM: 44 -0.416871419971E+03 -0.32373E-01 -0.17801E-03 10941 0.434E-02 0.436E-01
RMM: 45 -0.416958109874E+03 -0.86690E-01 -0.31756E-03 11564 0.492E-02 0.333E-01
RMM: 46 -0.417041860233E+03 -0.83750E-01 -0.42007E-03 11994 0.545E-02 0.310E-01
RMM: 47 -0.417110912047E+03 -0.69052E-01 -0.30648E-03 11722 0.438E-02 0.258E-01
RMM: 48 -0.417136778175E+03 -0.25866E-01 -0.93667E-04 11075 0.276E-02 0.180E-01
RMM: 49 -0.417154725197E+03 -0.17947E-01 -0.76559E-04 11221 0.252E-02 0.120E-01
RMM: 50 -0.417169392606E+03 -0.14667E-01 -0.37020E-04 10810 0.176E-02 0.993E-02
RMM: 51 -0.417180820035E+03 -0.11427E-01 -0.36919E-04 11249 0.178E-02 0.645E-02
RMM: 52 -0.417193672662E+03 -0.12853E-01 -0.16183E-04 10440 0.123E-02 0.529E-02
RMM: 53 -0.417202484666E+03 -0.88120E-02 -0.12767E-04 9563 0.970E-03 0.495E-02
RMM: 54 -0.417205984329E+03 -0.34997E-02 -0.86645E-05 8970 0.792E-03 0.413E-02
RMM: 55 -0.417206719795E+03 -0.73547E-03 -0.24278E-05 7575 0.475E-03 0.301E-02
RMM: 56 -0.417206603436E+03 0.11636E-03 -0.96891E-06 6354 0.336E-03 0.149E-02
RMM: 57 -0.417206856941E+03 -0.25350E-03 -0.56646E-06 6387 0.250E-03 0.124E-02
RMM: 58 -0.417207139288E+03 -0.28235E-03 -0.54734E-06 6437 0.212E-03 0.905E-03
RMM: 59 -0.417207283761E+03 -0.14447E-03 -0.28231E-06 5005 0.155E-03 0.576E-03
RMM: 60 -0.417207400300E+03 -0.11654E-03 -0.25309E-06 5247 0.145E-03 0.341E-03
RMM: 61 -0.417207580641E+03 -0.18034E-03 -0.16975E-06 4006 0.111E-03 0.380E-03
RMM: 62 -0.417207782100E+03 -0.20146E-03 -0.16936E-06 4100 0.112E-03 0.347E-03
RMM: 63 -0.417207914624E+03 -0.13252E-03 -0.12422E-06 3737 0.106E-03 0.308E-03
RMM: 64 -0.417208003173E+03 -0.88549E-04 -0.81728E-07 3428 0.978E-04 0.266E-03
RMM: 65 -0.417208064874E+03 -0.61701E-04 -0.57182E-07 3249 0.935E-04 0.217E-03
RMM: 66 -0.417208100037E+03 -0.35163E-04 -0.49464E-07 3128 0.933E-04 0.110E-03
RMM: 67 -0.417208160625E+03 -0.60589E-04 -0.32211E-07 2858 0.882E-04 0.935E-04
RMM: 68 -0.417208193822E+03 -0.33197E-04 -0.15030E-07 2526 0.859E-04 0.273E-03
RMM: 69 -0.417208203483E+03 -0.96607E-05 -0.50437E-08 2318 0.822E-04
1 F= -.45488073E+03 E0= -.45488155E+03 d E =0.247300E-02 mag= 0.0003