iterations/neb0_image07_iter51_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 0.373709229465E+03 0.37371E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.380284083861E+01 -0.36991E+03 -0.35706E+03 861 0.195E+02
DAV: 3 -0.963747123420E+02 -0.10018E+03 -0.99840E+02 680 0.117E+02
DAV: 4 -0.100710279940E+03 -0.43356E+01 -0.43254E+01 704 0.278E+01
DAV: 5 -0.100795599962E+03 -0.85320E-01 -0.85284E-01 728 0.350E+00 0.226E+01
DAV: 6 -0.922380433795E+02 0.85576E+01 -0.30633E+01 690 0.302E+01 0.118E+01
DAV: 7 -0.913818003841E+02 0.85624E+00 -0.16509E+00 728 0.616E+00 0.481E+00
DAV: 8 -0.909994548949E+02 0.38235E+00 -0.56979E-01 704 0.414E+00 0.162E+00
DAV: 9 -0.909143803902E+02 0.85075E-01 -0.13016E-01 720 0.156E+00 0.430E-01
DAV: 10 -0.909041857295E+02 0.10195E-01 -0.48747E-02 720 0.112E+00 0.313E-01
DAV: 11 -0.909086411977E+02 -0.44555E-02 -0.12254E-02 613 0.588E-01 0.140E-01
DAV: 12 -0.909117045282E+02 -0.30633E-02 -0.36244E-03 603 0.287E-01 0.148E-01
DAV: 13 -0.909153266896E+02 -0.36222E-02 -0.25491E-03 725 0.323E-01 0.564E-02
DAV: 14 -0.909177404803E+02 -0.24138E-02 -0.65148E-04 672 0.121E-01 0.543E-02
DAV: 15 -0.909205744399E+02 -0.28340E-02 -0.32983E-04 645 0.871E-02 0.372E-02
DAV: 16 -0.909218456886E+02 -0.12712E-02 -0.37016E-04 677 0.966E-02 0.237E-02
DAV: 17 -0.909225000614E+02 -0.65437E-03 -0.92575E-05 653 0.545E-02 0.110E-02
DAV: 18 -0.909227350387E+02 -0.23498E-03 -0.33116E-05 616 0.249E-02 0.616E-03
DAV: 19 -0.909227906990E+02 -0.55660E-04 -0.43504E-06 480 0.138E-02 0.335E-03
DAV: 20 -0.909228329086E+02 -0.42210E-04 -0.54100E-06 423 0.118E-02 0.262E-03
DAV: 21 -0.909228503072E+02 -0.17399E-04 -0.23162E-06 461 0.688E-03 0.205E-03
DAV: 22 -0.909228539348E+02 -0.36277E-05 -0.11692E-06 480 0.676E-03
1 F= -.90922854E+02 E0= -.90927977E+02 d E =0.153695E-01