./iterations/neb0_image06_iter235_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 0.370302158286E+03 0.37030E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.386710325028E+01 -0.36644E+03 -0.35429E+03 858 0.193E+02
DAV: 3 -0.954141638355E+02 -0.99281E+02 -0.98914E+02 664 0.116E+02
DAV: 4 -0.100147304203E+03 -0.47331E+01 -0.47184E+01 720 0.287E+01
DAV: 5 -0.100246145542E+03 -0.98841E-01 -0.98786E-01 728 0.369E+00 0.225E+01
DAV: 6 -0.917159170169E+02 0.85302E+01 -0.29984E+01 696 0.300E+01 0.118E+01
DAV: 7 -0.908808505523E+02 0.83507E+00 -0.17434E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.905053413017E+02 0.37551E+00 -0.57714E-01 712 0.425E+00 0.165E+00
DAV: 9 -0.904186967187E+02 0.86645E-01 -0.12840E-01 712 0.162E+00 0.433E-01
DAV: 10 -0.904086460747E+02 0.10051E-01 -0.33910E-02 720 0.908E-01 0.284E-01
DAV: 11 -0.904125186587E+02 -0.38726E-02 -0.95412E-03 602 0.511E-01 0.152E-01
DAV: 12 -0.904149247194E+02 -0.24061E-02 -0.32594E-03 648 0.335E-01 0.861E-02
DAV: 13 -0.904187246682E+02 -0.37999E-02 -0.19467E-03 614 0.209E-01 0.769E-02
DAV: 14 -0.904218544292E+02 -0.31298E-02 -0.10632E-03 666 0.229E-01 0.357E-02
DAV: 15 -0.904239716941E+02 -0.21173E-02 -0.31808E-04 688 0.100E-01 0.368E-02
DAV: 16 -0.904255737851E+02 -0.16021E-02 -0.33835E-04 674 0.110E-01 0.185E-02
DAV: 17 -0.904263802829E+02 -0.80650E-03 -0.11466E-04 653 0.597E-02 0.126E-02
DAV: 18 -0.904265795154E+02 -0.19923E-03 -0.19380E-05 576 0.195E-02 0.849E-03
DAV: 19 -0.904267386798E+02 -0.15916E-03 -0.25258E-05 508 0.234E-02 0.235E-03
DAV: 20 -0.904267583037E+02 -0.19624E-04 -0.33937E-06 496 0.935E-03 0.221E-03
DAV: 21 -0.904267757061E+02 -0.17402E-04 -0.20579E-06 404 0.560E-03 0.131E-03
DAV: 22 -0.904267787108E+02 -0.30047E-05 -0.48555E-07 469 0.277E-03
1 F= -.90426779E+02 E0= -.90431371E+02 d E =0.137780E-01