./iterations/neb0_image03_iter80_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 0.367531774890E+03 0.36753E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.289819010100E+01 -0.36463E+03 -0.35210E+03 853 0.195E+02
DAV: 3 -0.956133976228E+02 -0.98512E+02 -0.98193E+02 661 0.116E+02
DAV: 4 -0.100147800061E+03 -0.45344E+01 -0.45249E+01 720 0.287E+01
DAV: 5 -0.100236127177E+03 -0.88327E-01 -0.88291E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916305469736E+02 0.86056E+01 -0.30730E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.907839174365E+02 0.84663E+00 -0.18475E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.903784439417E+02 0.40547E+00 -0.57141E-01 696 0.432E+00 0.165E+00
DAV: 9 -0.902826930895E+02 0.95751E-01 -0.13974E-01 704 0.174E+00 0.437E-01
DAV: 10 -0.902746098030E+02 0.80833E-02 -0.50318E-02 712 0.121E+00 0.338E-01
DAV: 11 -0.902784301964E+02 -0.38204E-02 -0.81598E-03 605 0.576E-01 0.117E-01
DAV: 12 -0.902811934567E+02 -0.27633E-02 -0.52639E-03 639 0.327E-01 0.127E-01
DAV: 13 -0.902850216415E+02 -0.38282E-02 -0.19962E-03 832 0.368E-01 0.836E-02
DAV: 14 -0.902881673406E+02 -0.31457E-02 -0.10800E-03 642 0.152E-01 0.641E-02
DAV: 15 -0.902904759357E+02 -0.23086E-02 -0.47494E-04 680 0.130E-01 0.294E-02
DAV: 16 -0.902924280872E+02 -0.19522E-02 -0.48012E-04 663 0.122E-01 0.324E-02
DAV: 17 -0.902930497407E+02 -0.62165E-03 -0.11728E-04 688 0.657E-02 0.205E-02
DAV: 18 -0.902933806269E+02 -0.33089E-03 -0.94880E-05 648 0.547E-02 0.101E-02
DAV: 19 -0.902935229722E+02 -0.14235E-03 -0.13766E-05 477 0.237E-02 0.612E-03
DAV: 20 -0.902936117472E+02 -0.88775E-04 -0.18612E-05 458 0.244E-02 0.508E-03
DAV: 21 -0.902936529596E+02 -0.41212E-04 -0.75791E-06 448 0.154E-02 0.310E-03
DAV: 22 -0.902936631967E+02 -0.10237E-04 -0.36583E-06 488 0.115E-02 0.218E-03
DAV: 23 -0.902936658200E+02 -0.26234E-05 -0.12731E-06 464 0.688E-03
1 F= -.90293666E+02 E0= -.90301791E+02 d E =0.243767E-01