iterations/neb0_image01_iter111_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 0.366366203191E+03 0.36637E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.338444242921E+01 -0.36298E+03 -0.34967E+03 839 0.195E+02
DAV: 3 -0.956880239196E+02 -0.99072E+02 -0.98728E+02 677 0.116E+02
DAV: 4 -0.100198289941E+03 -0.45103E+01 -0.45006E+01 693 0.282E+01
DAV: 5 -0.100288486939E+03 -0.90197E-01 -0.90145E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916765872945E+02 0.86119E+01 -0.31128E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908698368310E+02 0.80675E+00 -0.18205E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904908035269E+02 0.37903E+00 -0.55518E-01 712 0.427E+00 0.168E+00
DAV: 9 -0.904063603022E+02 0.84443E-01 -0.13510E-01 704 0.164E+00 0.426E-01
DAV: 10 -0.904011428725E+02 0.52174E-02 -0.45897E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904050998669E+02 -0.39570E-02 -0.68581E-03 608 0.492E-01 0.135E-01
DAV: 12 -0.904086487895E+02 -0.35489E-02 -0.67584E-03 629 0.469E-01 0.128E-01
DAV: 13 -0.904112590797E+02 -0.26103E-02 -0.14454E-03 848 0.310E-01 0.751E-02
DAV: 14 -0.904142691122E+02 -0.30100E-02 -0.14193E-03 634 0.180E-01 0.603E-02
DAV: 15 -0.904162419161E+02 -0.19728E-02 -0.36696E-04 696 0.119E-01 0.465E-02
DAV: 16 -0.904176034335E+02 -0.13615E-02 -0.84573E-04 653 0.170E-01 0.378E-02
DAV: 17 -0.904184100864E+02 -0.80665E-03 -0.18697E-04 845 0.971E-02 0.227E-02
DAV: 18 -0.904185429891E+02 -0.13290E-03 -0.40198E-05 720 0.325E-02 0.149E-02
DAV: 19 -0.904188023505E+02 -0.25936E-03 -0.67523E-05 633 0.429E-02 0.613E-03
DAV: 20 -0.904188264959E+02 -0.24145E-04 -0.58285E-06 480 0.153E-02 0.603E-03
DAV: 21 -0.904188639353E+02 -0.37439E-04 -0.74147E-06 425 0.172E-02 0.494E-03
DAV: 22 -0.904188850755E+02 -0.21140E-04 -0.35853E-06 477 0.105E-02 0.369E-03
DAV: 23 -0.904188876922E+02 -0.26166E-05 -0.31134E-06 528 0.102E-02
1 F= -.90418888E+02 E0= -.90423947E+02 d E =0.151778E-01