./iterations/neb0_image04_iter279_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 0.366578318970E+03 0.36658E+03 -0.14311E+04 624 0.799E+02
DAV: 2 0.432214368686E+00 -0.36615E+03 -0.35517E+03 861 0.195E+02
DAV: 3 -0.961003658916E+02 -0.96533E+02 -0.96243E+02 653 0.116E+02
DAV: 4 -0.100405520571E+03 -0.43052E+01 -0.42968E+01 696 0.280E+01
DAV: 5 -0.100490432873E+03 -0.84912E-01 -0.84883E-01 728 0.350E+00 0.225E+01
DAV: 6 -0.916996355884E+02 0.87908E+01 -0.31509E+01 685 0.301E+01 0.118E+01
DAV: 7 -0.908395143754E+02 0.86012E+00 -0.18403E+00 720 0.661E+00 0.486E+00
DAV: 8 -0.904278822663E+02 0.41163E+00 -0.54237E-01 696 0.455E+00 0.181E+00
DAV: 9 -0.903376237232E+02 0.90259E-01 -0.15845E-01 712 0.217E+00 0.599E-01
DAV: 10 -0.903215261588E+02 0.16098E-01 -0.36394E-02 720 0.103E+00 0.358E-01
DAV: 11 -0.903234697405E+02 -0.19436E-02 -0.15830E-02 720 0.656E-01 0.275E-01
DAV: 12 -0.903259259672E+02 -0.24562E-02 -0.36472E-03 680 0.566E-01 0.173E-01
DAV: 13 -0.903289065747E+02 -0.29806E-02 -0.36403E-03 629 0.424E-01 0.118E-01
DAV: 14 -0.903319748573E+02 -0.30683E-02 -0.19606E-03 623 0.272E-01 0.581E-02
DAV: 15 -0.903350056140E+02 -0.30308E-02 -0.11637E-03 642 0.167E-01 0.647E-02
DAV: 16 -0.903369824146E+02 -0.19768E-02 -0.59918E-04 872 0.203E-01 0.368E-02
DAV: 17 -0.903384458418E+02 -0.14634E-02 -0.39885E-04 644 0.961E-02 0.417E-02
DAV: 18 -0.903389281911E+02 -0.48235E-03 -0.79092E-05 768 0.725E-02 0.230E-02
DAV: 19 -0.903393161194E+02 -0.38793E-03 -0.21318E-04 640 0.915E-02 0.186E-02
DAV: 20 -0.903394672026E+02 -0.15108E-03 -0.25579E-05 565 0.386E-02 0.111E-02
DAV: 21 -0.903395437607E+02 -0.76558E-04 -0.24708E-05 576 0.249E-02 0.529E-03
DAV: 22 -0.903395949820E+02 -0.51221E-04 -0.53454E-06 417 0.114E-02 0.161E-03
DAV: 23 -0.903396114540E+02 -0.16472E-04 -0.34470E-06 472 0.719E-03 0.104E-03
DAV: 24 -0.903396139196E+02 -0.24656E-05 -0.67150E-07 496 0.337E-03
1 F= -.90339614E+02 E0= -.90347719E+02 d E =0.243156E-01