iterations/neb0_image07_iter158_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 0.370573565760E+03 0.37057E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.325074208202E+01 -0.36732E+03 -0.35478E+03 869 0.194E+02
DAV: 3 -0.962581424962E+02 -0.99509E+02 -0.99183E+02 677 0.116E+02
DAV: 4 -0.100925900966E+03 -0.46678E+01 -0.46562E+01 696 0.287E+01
DAV: 5 -0.101023575662E+03 -0.97675E-01 -0.97603E-01 736 0.368E+00 0.225E+01
DAV: 6 -0.924888751714E+02 0.85347E+01 -0.30457E+01 736 0.299E+01 0.118E+01
DAV: 7 -0.916586490381E+02 0.83023E+00 -0.17271E+00 712 0.618E+00 0.477E+00
DAV: 8 -0.912921226761E+02 0.36653E+00 -0.52320E-01 728 0.395E+00 0.164E+00
DAV: 9 -0.912105613856E+02 0.81561E-01 -0.12950E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912021744964E+02 0.83869E-02 -0.40086E-02 768 0.106E+00 0.289E-01
DAV: 11 -0.912064530311E+02 -0.42785E-02 -0.11481E-02 608 0.569E-01 0.142E-01
DAV: 12 -0.912088740517E+02 -0.24210E-02 -0.21716E-03 642 0.251E-01 0.914E-02
DAV: 13 -0.912129082639E+02 -0.40342E-02 -0.17968E-03 631 0.219E-01 0.515E-02
DAV: 14 -0.912151952472E+02 -0.22870E-02 -0.37454E-04 880 0.150E-01 0.299E-02
DAV: 15 -0.912175590614E+02 -0.23638E-02 -0.37506E-04 655 0.919E-02 0.290E-02
DAV: 16 -0.912186271185E+02 -0.10681E-02 -0.99806E-05 688 0.522E-02 0.120E-02
DAV: 17 -0.912194738307E+02 -0.84671E-03 -0.14328E-04 655 0.583E-02 0.149E-02
DAV: 18 -0.912196416959E+02 -0.16787E-03 -0.35301E-05 616 0.416E-02 0.658E-03
DAV: 19 -0.912196879241E+02 -0.46228E-04 -0.17358E-05 552 0.232E-02 0.670E-03
DAV: 20 -0.912197256992E+02 -0.37775E-04 -0.48661E-06 444 0.154E-02 0.425E-03
DAV: 21 -0.912197577083E+02 -0.32009E-04 -0.11324E-05 425 0.223E-02 0.370E-03
DAV: 22 -0.912197655802E+02 -0.78719E-05 -0.25581E-06 488 0.127E-02
1 F= -.91219766E+02 E0= -.91224611E+02 d E =0.145351E-01