iterations/neb0_image08_iter152_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 0.374689870148E+03 0.37469E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.378340553277E+01 -0.37091E+03 -0.35878E+03 863 0.196E+02
DAV: 3 -0.966942334862E+02 -0.10048E+03 -0.10017E+03 669 0.117E+02
DAV: 4 -0.101255514397E+03 -0.45613E+01 -0.45486E+01 728 0.285E+01
DAV: 5 -0.101345053433E+03 -0.89539E-01 -0.89490E-01 712 0.361E+00 0.228E+01
DAV: 6 -0.926431721753E+02 0.87019E+01 -0.30971E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917752690154E+02 0.86790E+00 -0.17624E+00 712 0.617E+00 0.480E+00
DAV: 8 -0.913986254075E+02 0.37664E+00 -0.54588E-01 720 0.397E+00 0.162E+00
DAV: 9 -0.913168744579E+02 0.81751E-01 -0.13156E-01 720 0.155E+00 0.422E-01
DAV: 10 -0.913085602709E+02 0.83142E-02 -0.44096E-02 776 0.109E+00 0.297E-01
DAV: 11 -0.913131784480E+02 -0.46182E-02 -0.12141E-02 608 0.577E-01 0.137E-01
DAV: 12 -0.913161818344E+02 -0.30034E-02 -0.27390E-03 625 0.246E-01 0.106E-01
DAV: 13 -0.913195582773E+02 -0.33764E-02 -0.12924E-03 645 0.190E-01 0.444E-02
DAV: 14 -0.913229359142E+02 -0.33776E-02 -0.74428E-04 661 0.165E-01 0.350E-02
DAV: 15 -0.913242118239E+02 -0.12759E-02 -0.16491E-04 688 0.853E-02 0.349E-02
DAV: 16 -0.913256762101E+02 -0.14644E-02 -0.39492E-04 652 0.104E-01 0.210E-02
DAV: 17 -0.913260552403E+02 -0.37903E-03 -0.70329E-05 760 0.621E-02 0.130E-02
DAV: 18 -0.913262992200E+02 -0.24398E-03 -0.41889E-05 589 0.307E-02 0.109E-02
DAV: 19 -0.913264020374E+02 -0.10282E-03 -0.15095E-05 472 0.199E-02 0.539E-03
DAV: 20 -0.913264317468E+02 -0.29709E-04 -0.62086E-06 464 0.159E-02 0.228E-03
DAV: 21 -0.913264491191E+02 -0.17372E-04 -0.44757E-06 434 0.113E-02 0.217E-03
DAV: 22 -0.913264584916E+02 -0.93725E-05 -0.14370E-06 445 0.477E-03
1 F= -.91326458E+02 E0= -.91331648E+02 d E =0.155673E-01