iterations/neb0_image05_iter290_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 0.368261733631E+03 0.36826E+03 -0.14314E+04 624 0.799E+02
DAV: 2 0.475456291590E+01 -0.36351E+03 -0.34980E+03 840 0.196E+02
DAV: 3 -0.952167693887E+02 -0.99971E+02 -0.99624E+02 640 0.117E+02
DAV: 4 -0.100178767937E+03 -0.49620E+01 -0.49490E+01 704 0.304E+01
DAV: 5 -0.100279385703E+03 -0.10062E+00 -0.10057E+00 736 0.387E+00 0.223E+01
DAV: 6 -0.915924905716E+02 0.86869E+01 -0.31104E+01 688 0.302E+01 0.118E+01
DAV: 7 -0.907578286617E+02 0.83466E+00 -0.17797E+00 720 0.648E+00 0.485E+00
DAV: 8 -0.903718439477E+02 0.38598E+00 -0.53265E-01 720 0.431E+00 0.176E+00
DAV: 9 -0.902824658362E+02 0.89378E-01 -0.13979E-01 720 0.185E+00 0.508E-01
DAV: 10 -0.902728353364E+02 0.96305E-02 -0.24127E-02 760 0.856E-01 0.319E-01
DAV: 11 -0.902737390744E+02 -0.90374E-03 -0.11453E-02 720 0.609E-01 0.189E-01
DAV: 12 -0.902774499413E+02 -0.37109E-02 -0.56206E-03 640 0.445E-01 0.126E-01
DAV: 13 -0.902800896745E+02 -0.26397E-02 -0.12691E-03 648 0.217E-01 0.783E-02
DAV: 14 -0.902844449731E+02 -0.43553E-02 -0.23385E-03 646 0.251E-01 0.611E-02
DAV: 15 -0.902867822092E+02 -0.23372E-02 -0.46477E-04 768 0.153E-01 0.269E-02
DAV: 16 -0.902893737393E+02 -0.25915E-02 -0.79933E-04 647 0.149E-01 0.418E-02
DAV: 17 -0.902898989707E+02 -0.52523E-03 -0.84077E-05 792 0.673E-02 0.256E-02
DAV: 18 -0.902905199080E+02 -0.62094E-03 -0.26715E-04 646 0.993E-02 0.154E-02
DAV: 19 -0.902907255570E+02 -0.20565E-03 -0.38424E-05 696 0.319E-02 0.178E-02
DAV: 20 -0.902907947670E+02 -0.69210E-04 -0.10295E-05 480 0.207E-02 0.126E-02
DAV: 21 -0.902908340087E+02 -0.39242E-04 -0.49197E-05 622 0.438E-02 0.685E-03
DAV: 22 -0.902908508624E+02 -0.16854E-04 -0.64534E-06 472 0.206E-02 0.446E-03
DAV: 23 -0.902908541615E+02 -0.32991E-05 -0.19476E-06 520 0.759E-03
1 F= -.90290854E+02 E0= -.90299187E+02 d E =0.249972E-01