iterations/neb0_image08_iter88_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.375374670256E+03 0.37537E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.364681063927E+01 -0.37173E+03 -0.35843E+03 869 0.196E+02
DAV: 3 -0.966823120523E+02 -0.10033E+03 -0.99988E+02 688 0.117E+02
DAV: 4 -0.101080691545E+03 -0.43984E+01 -0.43883E+01 688 0.276E+01
DAV: 5 -0.101168480600E+03 -0.87789E-01 -0.87749E-01 736 0.348E+00 0.226E+01
DAV: 6 -0.925772322969E+02 0.85912E+01 -0.30760E+01 698 0.301E+01 0.118E+01
DAV: 7 -0.917193042509E+02 0.85793E+00 -0.16807E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913405646470E+02 0.37874E+00 -0.55966E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912579044274E+02 0.82660E-01 -0.12878E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.912485545813E+02 0.93498E-02 -0.46863E-02 720 0.112E+00 0.307E-01
DAV: 11 -0.912532763988E+02 -0.47218E-02 -0.13780E-02 624 0.603E-01 0.156E-01
DAV: 12 -0.912562660700E+02 -0.29897E-02 -0.32706E-03 617 0.254E-01 0.128E-01
DAV: 13 -0.912599070787E+02 -0.36410E-02 -0.17901E-03 752 0.247E-01 0.452E-02
DAV: 14 -0.912629932623E+02 -0.30862E-02 -0.56124E-04 653 0.117E-01 0.420E-02
DAV: 15 -0.912651060608E+02 -0.21128E-02 -0.19648E-04 653 0.704E-02 0.395E-02
DAV: 16 -0.912661912828E+02 -0.10852E-02 -0.40205E-04 658 0.100E-01 0.235E-02
DAV: 17 -0.912665029369E+02 -0.31165E-03 -0.90754E-05 728 0.674E-02 0.128E-02
DAV: 18 -0.912667273858E+02 -0.22445E-03 -0.41671E-05 629 0.281E-02 0.123E-02
DAV: 19 -0.912667770820E+02 -0.49696E-04 -0.94419E-06 488 0.221E-02 0.544E-03
DAV: 20 -0.912668096617E+02 -0.32580E-04 -0.11091E-05 418 0.202E-02 0.359E-03
DAV: 21 -0.912668335873E+02 -0.23926E-04 -0.31745E-06 458 0.815E-03 0.300E-03
DAV: 22 -0.912668424123E+02 -0.88249E-05 -0.18750E-06 412 0.896E-03
1 F= -.91266842E+02 E0= -.91271924E+02 d E =0.152458E-01