iterations/neb0_image04_iter59_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 0.370957010111E+03 0.37096E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.456679374193E+01 -0.36639E+03 -0.35383E+03 853 0.195E+02
DAV: 3 -0.951382510119E+02 -0.99705E+02 -0.99373E+02 674 0.116E+02
DAV: 4 -0.996544368521E+02 -0.45162E+01 -0.45059E+01 704 0.282E+01
DAV: 5 -0.997430859460E+02 -0.88649E-01 -0.88599E-01 728 0.355E+00 0.222E+01
DAV: 6 -0.912547859264E+02 0.84883E+01 -0.30049E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.904149611206E+02 0.83982E+00 -0.17688E+00 712 0.630E+00 0.479E+00
DAV: 8 -0.900205874658E+02 0.39437E+00 -0.55885E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.899259222977E+02 0.94665E-01 -0.13733E-01 712 0.177E+00 0.444E-01
DAV: 10 -0.899161833115E+02 0.97390E-02 -0.50131E-02 720 0.128E+00 0.334E-01
DAV: 11 -0.899199113825E+02 -0.37281E-02 -0.12140E-02 629 0.612E-01 0.137E-01
DAV: 12 -0.899218076044E+02 -0.18962E-02 -0.34450E-03 658 0.285E-01 0.118E-01
DAV: 13 -0.899260479981E+02 -0.42404E-02 -0.24841E-03 850 0.392E-01 0.666E-02
DAV: 14 -0.899290880699E+02 -0.30401E-02 -0.10107E-03 661 0.161E-01 0.527E-02
DAV: 15 -0.899311862179E+02 -0.20981E-02 -0.39266E-04 816 0.127E-01 0.239E-02
DAV: 16 -0.899328888883E+02 -0.17027E-02 -0.28188E-04 669 0.831E-02 0.274E-02
DAV: 17 -0.899335743377E+02 -0.68545E-03 -0.55160E-05 624 0.443E-02 0.179E-02
DAV: 18 -0.899340715705E+02 -0.49723E-03 -0.18130E-04 642 0.771E-02 0.169E-02
DAV: 19 -0.899341021518E+02 -0.30581E-04 -0.14643E-05 520 0.336E-02 0.966E-03
DAV: 20 -0.899341930930E+02 -0.90941E-04 -0.48592E-05 617 0.394E-02 0.696E-03
DAV: 21 -0.899342327286E+02 -0.39636E-04 -0.53334E-06 453 0.177E-02 0.354E-03
DAV: 22 -0.899342478403E+02 -0.15112E-04 -0.60980E-06 496 0.135E-02 0.156E-03
DAV: 23 -0.899342553523E+02 -0.75120E-05 -0.19432E-06 420 0.781E-03
1 F= -.89934255E+02 E0= -.89939905E+02 d E =0.169477E-01