iterations/neb0_image09_iter147_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 0.374466292445E+03 0.37447E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.331617819265E+01 -0.37115E+03 -0.35829E+03 869 0.196E+02
DAV: 3 -0.967133479442E+02 -0.10003E+03 -0.99698E+02 661 0.117E+02
DAV: 4 -0.101252029395E+03 -0.45387E+01 -0.45282E+01 720 0.287E+01
DAV: 5 -0.101340970135E+03 -0.88941E-01 -0.88901E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926760320431E+02 0.86649E+01 -0.30898E+01 712 0.300E+01 0.119E+01
DAV: 7 -0.918057786068E+02 0.87025E+00 -0.17157E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914293702333E+02 0.37641E+00 -0.54514E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913483494446E+02 0.81021E-01 -0.13092E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.913399945348E+02 0.83549E-02 -0.44293E-02 776 0.111E+00 0.300E-01
DAV: 11 -0.913441037913E+02 -0.41093E-02 -0.11288E-02 616 0.556E-01 0.126E-01
DAV: 12 -0.913473617229E+02 -0.32579E-02 -0.29305E-03 618 0.245E-01 0.113E-01
DAV: 13 -0.913510566247E+02 -0.36949E-02 -0.12242E-03 712 0.198E-01 0.438E-02
DAV: 14 -0.913541534157E+02 -0.30968E-02 -0.65549E-04 664 0.128E-01 0.404E-02
DAV: 15 -0.913559053262E+02 -0.17519E-02 -0.16934E-04 736 0.802E-02 0.334E-02
DAV: 16 -0.913571440954E+02 -0.12388E-02 -0.31254E-04 655 0.847E-02 0.182E-02
DAV: 17 -0.913575698133E+02 -0.42572E-03 -0.76453E-05 712 0.562E-02 0.117E-02
DAV: 18 -0.913577807111E+02 -0.21090E-03 -0.29343E-05 568 0.241E-02 0.910E-03
DAV: 19 -0.913578191502E+02 -0.38439E-04 -0.80885E-06 512 0.175E-02 0.342E-03
DAV: 20 -0.913578565777E+02 -0.37427E-04 -0.72771E-06 404 0.156E-02 0.284E-03
DAV: 21 -0.913578706183E+02 -0.14041E-04 -0.20457E-06 464 0.691E-03 0.233E-03
DAV: 22 -0.913578749204E+02 -0.43022E-05 -0.10053E-06 474 0.672E-03
1 F= -.91357875E+02 E0= -.91362542E+02 d E =0.140014E-01