./iterations/neb0_image03_iter76_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 0.367618365967E+03 0.36762E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.296186879653E+01 -0.36466E+03 -0.35206E+03 853 0.195E+02
DAV: 3 -0.955789964735E+02 -0.98541E+02 -0.98222E+02 664 0.116E+02
DAV: 4 -0.100118433262E+03 -0.45394E+01 -0.45299E+01 720 0.287E+01
DAV: 5 -0.100206931880E+03 -0.88499E-01 -0.88462E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.916189001889E+02 0.85880E+01 -0.30655E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.907683596603E+02 0.85054E+00 -0.18345E+00 696 0.640E+00 0.483E+00
DAV: 8 -0.903641975637E+02 0.40416E+00 -0.57193E-01 704 0.433E+00 0.165E+00
DAV: 9 -0.902694595824E+02 0.94738E-01 -0.13896E-01 712 0.173E+00 0.439E-01
DAV: 10 -0.902616181360E+02 0.78414E-02 -0.46033E-02 712 0.114E+00 0.333E-01
DAV: 11 -0.902651489969E+02 -0.35309E-02 -0.69056E-03 605 0.552E-01 0.114E-01
DAV: 12 -0.902676927344E+02 -0.25437E-02 -0.43620E-03 631 0.293E-01 0.115E-01
DAV: 13 -0.902722917605E+02 -0.45990E-02 -0.19181E-03 832 0.347E-01 0.852E-02
DAV: 14 -0.902749525345E+02 -0.26608E-02 -0.76070E-04 664 0.137E-01 0.572E-02
DAV: 15 -0.902777383852E+02 -0.27859E-02 -0.81287E-04 672 0.168E-01 0.316E-02
DAV: 16 -0.902792270872E+02 -0.14887E-02 -0.20356E-04 688 0.806E-02 0.179E-02
DAV: 17 -0.902800501159E+02 -0.82303E-03 -0.10838E-04 664 0.456E-02 0.106E-02
DAV: 18 -0.902802936442E+02 -0.24353E-03 -0.25153E-05 536 0.254E-02 0.431E-03
DAV: 19 -0.902804389747E+02 -0.14533E-03 -0.11703E-05 455 0.141E-02 0.324E-03
DAV: 20 -0.902804874934E+02 -0.48519E-04 -0.51517E-06 472 0.109E-02 0.130E-03
DAV: 21 -0.902805223737E+02 -0.34880E-04 -0.50737E-06 417 0.837E-03 0.155E-03
DAV: 22 -0.902805239276E+02 -0.15538E-05 -0.64940E-07 544 0.452E-03
1 F= -.90280524E+02 E0= -.90289008E+02 d E =0.254524E-01