iterations/neb0_image01_iter87_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 0.366622533995E+03 0.36662E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.343878232940E+01 -0.36318E+03 -0.34980E+03 839 0.195E+02
DAV: 3 -0.957806529406E+02 -0.99219E+02 -0.98880E+02 688 0.116E+02
DAV: 4 -0.100199599662E+03 -0.44189E+01 -0.44098E+01 685 0.279E+01
DAV: 5 -0.100287254734E+03 -0.87655E-01 -0.87603E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.916811880806E+02 0.86061E+01 -0.31133E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908669318949E+02 0.81426E+00 -0.18164E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904858418393E+02 0.38109E+00 -0.55953E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904013132027E+02 0.84529E-01 -0.13640E-01 704 0.164E+00 0.429E-01
DAV: 10 -0.903958315841E+02 0.54816E-02 -0.45656E-02 728 0.126E+00 0.316E-01
DAV: 11 -0.903996007402E+02 -0.37692E-02 -0.66026E-03 616 0.472E-01 0.147E-01
DAV: 12 -0.904031424386E+02 -0.35417E-02 -0.70327E-03 613 0.490E-01 0.126E-01
DAV: 13 -0.904059372820E+02 -0.27948E-02 -0.12996E-03 808 0.301E-01 0.778E-02
DAV: 14 -0.904088365381E+02 -0.28993E-02 -0.15673E-03 634 0.189E-01 0.596E-02
DAV: 15 -0.904110208629E+02 -0.21843E-02 -0.42869E-04 720 0.133E-01 0.447E-02
DAV: 16 -0.904122219574E+02 -0.12011E-02 -0.65679E-04 661 0.147E-01 0.343E-02
DAV: 17 -0.904131223489E+02 -0.90039E-03 -0.19500E-04 847 0.956E-02 0.193E-02
DAV: 18 -0.904132801763E+02 -0.15783E-03 -0.37109E-05 704 0.307E-02 0.143E-02
DAV: 19 -0.904135366538E+02 -0.25648E-03 -0.57843E-05 633 0.394E-02 0.434E-03
DAV: 20 -0.904135681027E+02 -0.31449E-04 -0.46056E-06 480 0.123E-02 0.502E-03
DAV: 21 -0.904136113798E+02 -0.43277E-04 -0.48624E-06 406 0.119E-02 0.290E-03
DAV: 22 -0.904136277637E+02 -0.16384E-04 -0.37562E-06 477 0.916E-03 0.189E-03
DAV: 23 -0.904136302608E+02 -0.24971E-05 -0.10043E-06 520 0.569E-03
1 F= -.90413630E+02 E0= -.90418684E+02 d E =0.151604E-01