./iterations/neb0_image03_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 0.367890139430E+03 0.36789E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.391999373297E+01 -0.36397E+03 -0.35073E+03 845 0.195E+02
DAV: 3 -0.953679082447E+02 -0.99288E+02 -0.98957E+02 656 0.116E+02
DAV: 4 -0.100083389289E+03 -0.47155E+01 -0.47053E+01 704 0.294E+01
DAV: 5 -0.100175772049E+03 -0.92383E-01 -0.92342E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.915680012221E+02 0.86078E+01 -0.30739E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907251047681E+02 0.84290E+00 -0.18709E+00 704 0.642E+00 0.483E+00
DAV: 8 -0.903203198326E+02 0.40478E+00 -0.57003E-01 696 0.435E+00 0.166E+00
DAV: 9 -0.902241722621E+02 0.96148E-01 -0.14412E-01 696 0.176E+00 0.436E-01
DAV: 10 -0.902158607470E+02 0.83115E-02 -0.48269E-02 704 0.120E+00 0.328E-01
DAV: 11 -0.902196330812E+02 -0.37723E-02 -0.79607E-03 616 0.514E-01 0.123E-01
DAV: 12 -0.902227883790E+02 -0.31553E-02 -0.52971E-03 631 0.352E-01 0.130E-01
DAV: 13 -0.902257846038E+02 -0.29962E-02 -0.15777E-03 856 0.335E-01 0.710E-02
DAV: 14 -0.902292908487E+02 -0.35062E-02 -0.11981E-03 623 0.184E-01 0.523E-02
DAV: 15 -0.902317248306E+02 -0.24340E-02 -0.35949E-04 688 0.103E-01 0.379E-02
DAV: 16 -0.902332467904E+02 -0.15220E-02 -0.48993E-04 664 0.119E-01 0.284E-02
DAV: 17 -0.902340414637E+02 -0.79467E-03 -0.10119E-04 709 0.757E-02 0.188E-02
DAV: 18 -0.902344011596E+02 -0.35970E-03 -0.11982E-04 744 0.716E-02 0.803E-03
DAV: 19 -0.902345447868E+02 -0.14363E-03 -0.19882E-05 506 0.282E-02 0.561E-03
DAV: 20 -0.902346143048E+02 -0.69518E-04 -0.14538E-05 480 0.239E-02 0.441E-03
DAV: 21 -0.902346436019E+02 -0.29297E-04 -0.20880E-05 478 0.365E-02 0.957E-03
DAV: 22 -0.902346396919E+02 0.39100E-05 -0.19450E-05 608 0.382E-02
1 F= -.90234640E+02 E0= -.90241168E+02 d E =0.195842E-01