./iterations/neb0_image05_iter15_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 0.356195741565E+03 0.35620E+03 -0.14204E+04 632 0.799E+02
DAV: 2 0.476069615993E+01 -0.35144E+03 -0.33979E+03 863 0.191E+02
DAV: 3 -0.912055822394E+02 -0.95966E+02 -0.95397E+02 693 0.113E+02
DAV: 4 -0.959648860166E+02 -0.47593E+01 -0.47398E+01 704 0.277E+01
DAV: 5 -0.960742169535E+02 -0.10933E+00 -0.10927E+00 728 0.366E+00 0.209E+01
DAV: 6 -0.880735044730E+02 0.80007E+01 -0.30866E+01 712 0.299E+01 0.108E+01
DAV: 7 -0.873800920270E+02 0.69341E+00 -0.15976E+00 720 0.726E+00 0.471E+00
DAV: 8 -0.870442488759E+02 0.33584E+00 -0.65901E-01 728 0.440E+00 0.170E+00
DAV: 9 -0.869700766781E+02 0.74172E-01 -0.14586E-01 717 0.187E+00 0.524E-01
DAV: 10 -0.869624017535E+02 0.76749E-02 -0.21636E-02 800 0.903E-01 0.264E-01
DAV: 11 -0.869631323316E+02 -0.73058E-03 -0.96711E-03 632 0.557E-01 0.169E-01
DAV: 12 -0.869658663551E+02 -0.27340E-02 -0.32748E-03 741 0.355E-01 0.974E-02
DAV: 13 -0.869700690681E+02 -0.42027E-02 -0.17608E-03 644 0.233E-01 0.815E-02
DAV: 14 -0.869730374733E+02 -0.29684E-02 -0.99052E-04 661 0.151E-01 0.351E-02
DAV: 15 -0.869754989477E+02 -0.24615E-02 -0.51447E-04 693 0.122E-01 0.352E-02
DAV: 16 -0.869764502326E+02 -0.95128E-03 -0.14849E-04 773 0.890E-02 0.245E-02
DAV: 17 -0.869771542599E+02 -0.70403E-03 -0.22678E-04 730 0.947E-02 0.241E-02
DAV: 18 -0.869774846228E+02 -0.33036E-03 -0.90524E-05 749 0.628E-02 0.157E-02
DAV: 19 -0.869776176531E+02 -0.13303E-03 -0.26918E-05 533 0.303E-02 0.833E-03
DAV: 20 -0.869777597007E+02 -0.14205E-03 -0.41287E-05 569 0.344E-02 0.631E-03
DAV: 21 -0.869777782335E+02 -0.18533E-04 -0.33297E-06 509 0.144E-02 0.419E-03
DAV: 22 -0.869778017100E+02 -0.23477E-04 -0.74115E-06 398 0.160E-02 0.223E-03
DAV: 23 -0.869778070399E+02 -0.53299E-05 -0.16853E-06 488 0.812E-03
1 F= -.86977807E+02 E0= -.86981694E+02 d E =0.116595E-01