./iterations/neb0_image01_iter88_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 0.366719947602E+03 0.36672E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.344597948410E+01 -0.36327E+03 -0.34989E+03 839 0.195E+02
DAV: 3 -0.957942234332E+02 -0.99240E+02 -0.98900E+02 688 0.116E+02
DAV: 4 -0.100211661865E+03 -0.44174E+01 -0.44082E+01 693 0.278E+01
DAV: 5 -0.100298896797E+03 -0.87235E-01 -0.87184E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.916808546559E+02 0.86180E+01 -0.31173E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908677921546E+02 0.81306E+00 -0.18190E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904868027940E+02 0.38099E+00 -0.55681E-01 712 0.427E+00 0.168E+00
DAV: 9 -0.904018654234E+02 0.84937E-01 -0.13644E-01 704 0.164E+00 0.428E-01
DAV: 10 -0.903964062842E+02 0.54591E-02 -0.46214E-02 728 0.126E+00 0.317E-01
DAV: 11 -0.904002358528E+02 -0.38296E-02 -0.67761E-03 616 0.483E-01 0.142E-01
DAV: 12 -0.904037981472E+02 -0.35623E-02 -0.70041E-03 613 0.482E-01 0.128E-01
DAV: 13 -0.904065228653E+02 -0.27247E-02 -0.14046E-03 848 0.308E-01 0.769E-02
DAV: 14 -0.904094481202E+02 -0.29253E-02 -0.14155E-03 634 0.179E-01 0.585E-02
DAV: 15 -0.904115635320E+02 -0.21154E-02 -0.40334E-04 680 0.122E-01 0.458E-02
DAV: 16 -0.904128843864E+02 -0.13209E-02 -0.74263E-04 653 0.159E-01 0.351E-02
DAV: 17 -0.904137263995E+02 -0.84201E-03 -0.18498E-04 837 0.956E-02 0.206E-02
DAV: 18 -0.904138727561E+02 -0.14636E-03 -0.37444E-05 704 0.316E-02 0.140E-02
DAV: 19 -0.904141313112E+02 -0.25856E-03 -0.63092E-05 636 0.405E-02 0.559E-03
DAV: 20 -0.904141534070E+02 -0.22096E-04 -0.50978E-06 496 0.140E-02 0.580E-03
DAV: 21 -0.904141900279E+02 -0.36621E-04 -0.59093E-06 409 0.152E-02 0.425E-03
DAV: 22 -0.904142108128E+02 -0.20785E-04 -0.38687E-06 477 0.106E-02 0.303E-03
DAV: 23 -0.904142134853E+02 -0.26725E-05 -0.27606E-06 520 0.929E-03
1 F= -.90414213E+02 E0= -.90419259E+02 d E =0.151374E-01