iterations/neb0_image02_iter250_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 0.366324245616E+03 0.36632E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.281006057871E+00 -0.36604E+03 -0.35541E+03 877 0.196E+02
DAV: 3 -0.956301446372E+02 -0.95911E+02 -0.95582E+02 621 0.115E+02
DAV: 4 -0.100250468683E+03 -0.46203E+01 -0.46100E+01 712 0.297E+01
DAV: 5 -0.100342792760E+03 -0.92324E-01 -0.92295E-01 744 0.377E+00 0.222E+01
DAV: 6 -0.916771862801E+02 0.86656E+01 -0.30987E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908545396883E+02 0.82265E+00 -0.18087E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904739645905E+02 0.38058E+00 -0.55452E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903892807069E+02 0.84684E-01 -0.13480E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903847850579E+02 0.44956E-02 -0.48552E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903885291770E+02 -0.37441E-02 -0.76635E-03 624 0.591E-01 0.118E-01
DAV: 12 -0.903916092542E+02 -0.30801E-02 -0.66498E-03 632 0.419E-01 0.135E-01
DAV: 13 -0.903941768480E+02 -0.25676E-02 -0.19551E-03 877 0.337E-01 0.806E-02
DAV: 14 -0.903972393968E+02 -0.30625E-02 -0.12964E-03 612 0.170E-01 0.702E-02
DAV: 15 -0.903990118571E+02 -0.17725E-02 -0.30235E-04 688 0.102E-01 0.528E-02
DAV: 16 -0.904004635289E+02 -0.14517E-02 -0.10088E-03 669 0.187E-01 0.386E-02
DAV: 17 -0.904010537508E+02 -0.59022E-03 -0.12244E-04 680 0.795E-02 0.278E-02
DAV: 18 -0.904013718420E+02 -0.31809E-03 -0.11355E-04 661 0.533E-02 0.805E-03
DAV: 19 -0.904015422220E+02 -0.17038E-03 -0.27727E-05 524 0.263E-02 0.577E-03
DAV: 20 -0.904015775209E+02 -0.35299E-04 -0.38174E-06 504 0.118E-02 0.569E-03
DAV: 21 -0.904016251324E+02 -0.47612E-04 -0.10540E-05 412 0.182E-02 0.335E-03
DAV: 22 -0.904016295323E+02 -0.43998E-05 -0.37539E-06 496 0.113E-02
1 F= -.90401630E+02 E0= -.90408212E+02 d E =0.197471E-01