iterations/neb0_image07_iter227_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 0.371277882525E+03 0.37128E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.379976325316E+01 -0.36748E+03 -0.35554E+03 866 0.194E+02
DAV: 3 -0.965450064928E+02 -0.10034E+03 -0.10004E+03 688 0.116E+02
DAV: 4 -0.101099651787E+03 -0.45546E+01 -0.45426E+01 704 0.281E+01
DAV: 5 -0.101190434076E+03 -0.90782E-01 -0.90731E-01 736 0.357E+00 0.226E+01
DAV: 6 -0.925800382370E+02 0.86104E+01 -0.30674E+01 728 0.298E+01 0.119E+01
DAV: 7 -0.917300459124E+02 0.84999E+00 -0.17438E+00 720 0.619E+00 0.480E+00
DAV: 8 -0.913566302863E+02 0.37342E+00 -0.54599E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912758913338E+02 0.80739E-01 -0.13054E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.912672364981E+02 0.86548E-02 -0.39822E-02 760 0.103E+00 0.285E-01
DAV: 11 -0.912715434757E+02 -0.43070E-02 -0.10885E-02 616 0.544E-01 0.138E-01
DAV: 12 -0.912745857552E+02 -0.30423E-02 -0.24951E-03 621 0.262E-01 0.877E-02
DAV: 13 -0.912783669819E+02 -0.37812E-02 -0.13511E-03 642 0.175E-01 0.549E-02
DAV: 14 -0.912816073068E+02 -0.32403E-02 -0.95668E-04 802 0.236E-01 0.476E-02
DAV: 15 -0.912829420802E+02 -0.13348E-02 -0.35207E-04 680 0.114E-01 0.368E-02
DAV: 16 -0.912840091410E+02 -0.10671E-02 -0.20885E-04 760 0.795E-02 0.148E-02
DAV: 17 -0.912848239189E+02 -0.81478E-03 -0.10876E-04 704 0.515E-02 0.124E-02
DAV: 18 -0.912851079451E+02 -0.28403E-03 -0.22602E-05 552 0.237E-02 0.693E-03
DAV: 19 -0.912852321805E+02 -0.12424E-03 -0.25088E-05 544 0.251E-02 0.406E-03
DAV: 20 -0.912852494160E+02 -0.17236E-04 -0.21755E-06 512 0.117E-02 0.182E-03
DAV: 21 -0.912852671003E+02 -0.17684E-04 -0.35627E-06 415 0.101E-02 0.147E-03
DAV: 22 -0.912852722826E+02 -0.51822E-05 -0.73874E-07 480 0.530E-03
1 F= -.91285272E+02 E0= -.91290528E+02 d E =0.157679E-01