./iterations/neb0_image03_iter120_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 0.366490623266E+03 0.36649E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.270624095500E+01 -0.36378E+03 -0.35258E+03 853 0.195E+02
DAV: 3 -0.956994511218E+02 -0.98406E+02 -0.98097E+02 669 0.116E+02
DAV: 4 -0.100172469443E+03 -0.44730E+01 -0.44634E+01 712 0.281E+01
DAV: 5 -0.100262054624E+03 -0.89585E-01 -0.89550E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916806578452E+02 0.85814E+01 -0.30671E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908404110217E+02 0.84025E+00 -0.18248E+00 712 0.641E+00 0.482E+00
DAV: 8 -0.904393054006E+02 0.40111E+00 -0.56251E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903440837291E+02 0.95222E-01 -0.12822E-01 704 0.188E+00 0.461E-01
DAV: 10 -0.903355483530E+02 0.85354E-02 -0.36509E-02 704 0.948E-01 0.336E-01
DAV: 11 -0.903380703745E+02 -0.25220E-02 -0.86559E-03 765 0.664E-01 0.173E-01
DAV: 12 -0.903397362959E+02 -0.16659E-02 -0.32183E-03 653 0.404E-01 0.115E-01
DAV: 13 -0.903442903699E+02 -0.45541E-02 -0.32986E-03 632 0.295E-01 0.865E-02
DAV: 14 -0.903486447969E+02 -0.43544E-02 -0.10259E-03 647 0.160E-01 0.433E-02
DAV: 15 -0.903507387246E+02 -0.20939E-02 -0.32080E-04 776 0.106E-01 0.235E-02
DAV: 16 -0.903524585444E+02 -0.17198E-02 -0.13654E-04 669 0.550E-02 0.140E-02
DAV: 17 -0.903536080535E+02 -0.11495E-02 -0.11697E-04 656 0.419E-02 0.680E-03
DAV: 18 -0.903539182790E+02 -0.31023E-03 -0.30087E-05 608 0.209E-02 0.462E-03
DAV: 19 -0.903540332225E+02 -0.11494E-03 -0.79116E-06 434 0.170E-02 0.250E-03
DAV: 20 -0.903540925166E+02 -0.59294E-04 -0.92720E-06 472 0.119E-02 0.271E-03
DAV: 21 -0.903541053294E+02 -0.12813E-04 -0.23213E-06 512 0.114E-02 0.164E-03
DAV: 22 -0.903541124432E+02 -0.71138E-05 -0.18832E-06 415 0.724E-03
1 F= -.90354112E+02 E0= -.90362822E+02 d E =0.261279E-01