./iterations/neb0_image07_iter229_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 0.371219486085E+03 0.37122E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.379382683879E+01 -0.36743E+03 -0.35550E+03 866 0.194E+02
DAV: 3 -0.965357920391E+02 -0.10033E+03 -0.10003E+03 685 0.116E+02
DAV: 4 -0.101093634418E+03 -0.45578E+01 -0.45457E+01 696 0.281E+01
DAV: 5 -0.101184987927E+03 -0.91354E-01 -0.91297E-01 736 0.358E+00 0.226E+01
DAV: 6 -0.925770227256E+02 0.86080E+01 -0.30684E+01 725 0.298E+01 0.118E+01
DAV: 7 -0.917276312021E+02 0.84939E+00 -0.17400E+00 720 0.619E+00 0.480E+00
DAV: 8 -0.913540224408E+02 0.37361E+00 -0.54663E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912733346143E+02 0.80688E-01 -0.13034E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.912646646459E+02 0.86700E-02 -0.39594E-02 760 0.102E+00 0.284E-01
DAV: 11 -0.912689928288E+02 -0.43282E-02 -0.10898E-02 616 0.545E-01 0.139E-01
DAV: 12 -0.912720431884E+02 -0.30504E-02 -0.25102E-03 624 0.263E-01 0.867E-02
DAV: 13 -0.912758054275E+02 -0.37622E-02 -0.13452E-03 639 0.173E-01 0.553E-02
DAV: 14 -0.912790494860E+02 -0.32441E-02 -0.98834E-04 794 0.239E-01 0.490E-02
DAV: 15 -0.912803793393E+02 -0.13299E-02 -0.36136E-04 680 0.115E-01 0.374E-02
DAV: 16 -0.912814505687E+02 -0.10712E-02 -0.21568E-04 768 0.810E-02 0.147E-02
DAV: 17 -0.912822681233E+02 -0.81755E-03 -0.11158E-04 696 0.526E-02 0.126E-02
DAV: 18 -0.912825474261E+02 -0.27930E-03 -0.21700E-05 552 0.219E-02 0.766E-03
DAV: 19 -0.912826715587E+02 -0.12413E-03 -0.25992E-05 544 0.266E-02 0.382E-03
DAV: 20 -0.912826924562E+02 -0.20897E-04 -0.26798E-06 512 0.116E-02 0.200E-03
DAV: 21 -0.912827044660E+02 -0.12010E-04 -0.21510E-06 429 0.764E-03 0.787E-04
DAV: 22 -0.912827116418E+02 -0.71758E-05 -0.89692E-07 445 0.456E-03
1 F= -.91282712E+02 E0= -.91288022E+02 d E =0.159297E-01