./iterations/neb0_image07_iter52_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 0.373740789418E+03 0.37374E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.380793223042E+01 -0.36993E+03 -0.35709E+03 861 0.195E+02
DAV: 3 -0.963775530235E+02 -0.10019E+03 -0.99848E+02 680 0.117E+02
DAV: 4 -0.100713663465E+03 -0.43361E+01 -0.43259E+01 704 0.278E+01
DAV: 5 -0.100798959811E+03 -0.85296E-01 -0.85261E-01 720 0.350E+00 0.226E+01
DAV: 6 -0.922398695469E+02 0.85591E+01 -0.30640E+01 690 0.302E+01 0.118E+01
DAV: 7 -0.913828138744E+02 0.85706E+00 -0.16491E+00 736 0.616E+00 0.482E+00
DAV: 8 -0.910003782664E+02 0.38244E+00 -0.57033E-01 704 0.414E+00 0.162E+00
DAV: 9 -0.909154282671E+02 0.84950E-01 -0.13000E-01 720 0.156E+00 0.430E-01
DAV: 10 -0.909052328234E+02 0.10195E-01 -0.48529E-02 720 0.112E+00 0.313E-01
DAV: 11 -0.909096212158E+02 -0.43884E-02 -0.11897E-02 613 0.578E-01 0.138E-01
DAV: 12 -0.909127840370E+02 -0.31628E-02 -0.37235E-03 603 0.292E-01 0.147E-01
DAV: 13 -0.909163192314E+02 -0.35352E-02 -0.23270E-03 741 0.312E-01 0.563E-02
DAV: 14 -0.909188109723E+02 -0.24917E-02 -0.70437E-04 672 0.124E-01 0.543E-02
DAV: 15 -0.909216177196E+02 -0.28067E-02 -0.31526E-04 645 0.855E-02 0.373E-02
DAV: 16 -0.909228975052E+02 -0.12798E-02 -0.37353E-04 677 0.973E-02 0.235E-02
DAV: 17 -0.909235589264E+02 -0.66142E-03 -0.96448E-05 653 0.568E-02 0.111E-02
DAV: 18 -0.909237757762E+02 -0.21685E-03 -0.32174E-05 616 0.254E-02 0.655E-03
DAV: 19 -0.909238395020E+02 -0.63726E-04 -0.56973E-06 456 0.161E-02 0.312E-03
DAV: 20 -0.909238769797E+02 -0.37478E-04 -0.50226E-06 458 0.114E-02 0.274E-03
DAV: 21 -0.909238967258E+02 -0.19746E-04 -0.24704E-06 437 0.702E-03 0.183E-03
DAV: 22 -0.909239007229E+02 -0.39971E-05 -0.11547E-06 472 0.614E-03
1 F= -.90923901E+02 E0= -.90929114E+02 d E =0.156406E-01