./iterations/neb0_image03_iter157_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 0.364587528113E+03 0.36459E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.380133212809E+00 -0.36421E+03 -0.35393E+03 869 0.195E+02
DAV: 3 -0.960928636697E+02 -0.96473E+02 -0.96170E+02 677 0.115E+02
DAV: 4 -0.100198110930E+03 -0.41052E+01 -0.40955E+01 704 0.270E+01
DAV: 5 -0.100278435979E+03 -0.80325E-01 -0.80288E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.916791230135E+02 0.85993E+01 -0.30768E+01 680 0.298E+01 0.116E+01
DAV: 7 -0.908481922196E+02 0.83093E+00 -0.18248E+00 696 0.634E+00 0.482E+00
DAV: 8 -0.904530785998E+02 0.39511E+00 -0.53601E-01 704 0.421E+00 0.168E+00
DAV: 9 -0.903562123434E+02 0.96866E-01 -0.13719E-01 696 0.185E+00 0.432E-01
DAV: 10 -0.903484526643E+02 0.77597E-02 -0.45239E-02 696 0.113E+00 0.338E-01
DAV: 11 -0.903543237740E+02 -0.58711E-02 -0.19068E-02 605 0.885E-01 0.217E-01
DAV: 12 -0.903546087929E+02 -0.28502E-03 -0.48311E-03 656 0.409E-01 0.167E-01
DAV: 13 -0.903582617632E+02 -0.36530E-02 -0.76168E-03 629 0.587E-01 0.107E-01
DAV: 14 -0.903609774451E+02 -0.27157E-02 -0.13131E-03 669 0.240E-01 0.854E-02
DAV: 15 -0.903634376263E+02 -0.24602E-02 -0.86218E-04 714 0.204E-01 0.370E-02
DAV: 16 -0.903651939442E+02 -0.17563E-02 -0.55513E-04 696 0.155E-01 0.345E-02
DAV: 17 -0.903662594425E+02 -0.10655E-02 -0.16015E-04 714 0.125E-01 0.301E-02
DAV: 18 -0.903667194584E+02 -0.46002E-03 -0.16952E-04 728 0.115E-01 0.205E-02
DAV: 19 -0.903668678155E+02 -0.14836E-03 -0.16419E-04 720 0.935E-02 0.131E-02
DAV: 20 -0.903669518177E+02 -0.84002E-04 -0.28244E-05 527 0.604E-02 0.132E-02
DAV: 21 -0.903669854620E+02 -0.33644E-04 -0.41940E-05 664 0.500E-02 0.176E-02
DAV: 22 -0.903670191084E+02 -0.33646E-04 -0.43543E-05 648 0.430E-02 0.474E-03
DAV: 23 -0.903670274911E+02 -0.83827E-05 -0.71655E-06 504 0.176E-02
1 F= -.90367027E+02 E0= -.90372126E+02 d E =0.152963E-01