iterations/neb0_image03_iter110_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 0.367094728705E+03 0.36709E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.339941582195E+01 -0.36370E+03 -0.35032E+03 837 0.195E+02
DAV: 3 -0.956912733615E+02 -0.99091E+02 -0.98776E+02 672 0.116E+02
DAV: 4 -0.100191989715E+03 -0.45007E+01 -0.44913E+01 712 0.284E+01
DAV: 5 -0.100280869733E+03 -0.88880E-01 -0.88843E-01 736 0.356E+00 0.223E+01
DAV: 6 -0.916810275602E+02 0.85998E+01 -0.30657E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908311621308E+02 0.84987E+00 -0.18288E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.904269958397E+02 0.40417E+00 -0.57246E-01 688 0.437E+00 0.166E+00
DAV: 9 -0.903323420195E+02 0.94654E-01 -0.13142E-01 704 0.185E+00 0.459E-01
DAV: 10 -0.903238379268E+02 0.85041E-02 -0.38107E-02 728 0.994E-01 0.335E-01
DAV: 11 -0.903264892272E+02 -0.26513E-02 -0.73362E-03 736 0.602E-01 0.145E-01
DAV: 12 -0.903284342652E+02 -0.19450E-02 -0.31930E-03 626 0.343E-01 0.112E-01
DAV: 13 -0.903332215647E+02 -0.47873E-02 -0.29937E-03 632 0.298E-01 0.838E-02
DAV: 14 -0.903374830499E+02 -0.42615E-02 -0.10258E-03 661 0.176E-01 0.433E-02
DAV: 15 -0.903393700460E+02 -0.18870E-02 -0.32866E-04 712 0.982E-02 0.246E-02
DAV: 16 -0.903410317824E+02 -0.16617E-02 -0.14274E-04 661 0.618E-02 0.116E-02
DAV: 17 -0.903420388607E+02 -0.10071E-02 -0.10158E-04 608 0.380E-02 0.751E-03
DAV: 18 -0.903423001613E+02 -0.26130E-03 -0.25569E-05 560 0.234E-02 0.451E-03
DAV: 19 -0.903423996156E+02 -0.99454E-04 -0.68642E-06 450 0.123E-02 0.207E-03
DAV: 20 -0.903424567726E+02 -0.57157E-04 -0.75511E-06 453 0.102E-02 0.178E-03
DAV: 21 -0.903424705681E+02 -0.13795E-04 -0.18910E-06 488 0.593E-03 0.656E-04
DAV: 22 -0.903424762835E+02 -0.57154E-05 -0.12493E-06 415 0.491E-03
1 F= -.90342476E+02 E0= -.90351039E+02 d E =0.256874E-01