iterations/neb0_image04_iter295_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 0.365084787452E+03 0.36508E+03 -0.14303E+04 624 0.799E+02
DAV: 2 -0.237927156869E+00 -0.36532E+03 -0.35473E+03 877 0.195E+02
DAV: 3 -0.960492962657E+02 -0.95811E+02 -0.95517E+02 656 0.115E+02
DAV: 4 -0.100308105417E+03 -0.42588E+01 -0.42514E+01 720 0.279E+01
DAV: 5 -0.100391439150E+03 -0.83334E-01 -0.83309E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.916734749856E+02 0.87180E+01 -0.31477E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908372702367E+02 0.83620E+00 -0.18084E+00 720 0.659E+00 0.485E+00
DAV: 8 -0.904283194056E+02 0.40895E+00 -0.53665E-01 712 0.446E+00 0.178E+00
DAV: 9 -0.903349826393E+02 0.93337E-01 -0.18602E-01 704 0.196E+00 0.544E-01
DAV: 10 -0.903264569302E+02 0.85257E-02 -0.46141E-02 752 0.155E+00 0.392E-01
DAV: 11 -0.903264977868E+02 -0.40857E-04 -0.66437E-03 704 0.687E-01 0.230E-01
DAV: 12 -0.903287694790E+02 -0.22717E-02 -0.59688E-03 608 0.413E-01 0.105E-01
DAV: 13 -0.903325104629E+02 -0.37410E-02 -0.23172E-03 623 0.229E-01 0.102E-01
DAV: 14 -0.903369724884E+02 -0.44620E-02 -0.18072E-03 748 0.262E-01 0.537E-02
DAV: 15 -0.903392074214E+02 -0.22349E-02 -0.31734E-04 672 0.113E-01 0.359E-02
DAV: 16 -0.903417308727E+02 -0.25235E-02 -0.60447E-04 649 0.123E-01 0.252E-02
DAV: 17 -0.903421397579E+02 -0.40889E-03 -0.41903E-05 704 0.550E-02 0.170E-02
DAV: 18 -0.903429233530E+02 -0.78360E-03 -0.19012E-04 635 0.764E-02 0.126E-02
DAV: 19 -0.903430027389E+02 -0.79386E-04 -0.14006E-05 520 0.311E-02 0.851E-03
DAV: 20 -0.903430984583E+02 -0.95719E-04 -0.29402E-05 481 0.313E-02 0.430E-03
DAV: 21 -0.903431499193E+02 -0.51461E-04 -0.69411E-06 455 0.145E-02 0.377E-03
DAV: 22 -0.903431651187E+02 -0.15199E-04 -0.20326E-06 496 0.560E-03 0.327E-03
DAV: 23 -0.903431715842E+02 -0.64655E-05 -0.31348E-06 410 0.141E-02
1 F= -.90343172E+02 E0= -.90351662E+02 d E =0.254720E-01