iterations/neb0_image01_iter91_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 0.366714943501E+03 0.36671E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.344509274043E+01 -0.36327E+03 -0.34989E+03 839 0.195E+02
DAV: 3 -0.957971693576E+02 -0.99242E+02 -0.98902E+02 688 0.116E+02
DAV: 4 -0.100214670854E+03 -0.44175E+01 -0.44083E+01 685 0.278E+01
DAV: 5 -0.100302172140E+03 -0.87501E-01 -0.87449E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.916789923476E+02 0.86232E+01 -0.31184E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908671096098E+02 0.81188E+00 -0.18229E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904865632911E+02 0.38055E+00 -0.55556E-01 704 0.427E+00 0.168E+00
DAV: 9 -0.904014173873E+02 0.85146E-01 -0.13601E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903960033277E+02 0.54141E-02 -0.46261E-02 728 0.125E+00 0.317E-01
DAV: 11 -0.903999452083E+02 -0.39419E-02 -0.69418E-03 608 0.493E-01 0.136E-01
DAV: 12 -0.904034988586E+02 -0.35537E-02 -0.67972E-03 629 0.470E-01 0.128E-01
DAV: 13 -0.904061415996E+02 -0.26427E-02 -0.14253E-03 856 0.310E-01 0.758E-02
DAV: 14 -0.904091335629E+02 -0.29920E-02 -0.14202E-03 634 0.180E-01 0.596E-02
DAV: 15 -0.904111725330E+02 -0.20390E-02 -0.38459E-04 680 0.121E-01 0.462E-02
DAV: 16 -0.904125145334E+02 -0.13420E-02 -0.80330E-04 653 0.165E-01 0.367E-02
DAV: 17 -0.904133474487E+02 -0.83292E-03 -0.19110E-04 837 0.977E-02 0.218E-02
DAV: 18 -0.904134785764E+02 -0.13113E-03 -0.38577E-05 720 0.321E-02 0.145E-02
DAV: 19 -0.904137392877E+02 -0.26071E-03 -0.66524E-05 633 0.426E-02 0.605E-03
DAV: 20 -0.904137659365E+02 -0.26649E-04 -0.53372E-06 480 0.142E-02 0.594E-03
DAV: 21 -0.904138039161E+02 -0.37980E-04 -0.67402E-06 422 0.165E-02 0.442E-03
DAV: 22 -0.904138245153E+02 -0.20599E-04 -0.36747E-06 477 0.102E-02 0.330E-03
DAV: 23 -0.904138270510E+02 -0.25357E-05 -0.25808E-06 528 0.912E-03
1 F= -.90413827E+02 E0= -.90418893E+02 d E =0.151969E-01