iterations/neb0_image09_iter113_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 0.374740533555E+03 0.37474E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251052428943E+01 -0.37223E+03 -0.35989E+03 877 0.196E+02
DAV: 3 -0.967003068236E+02 -0.99211E+02 -0.98875E+02 656 0.117E+02
DAV: 4 -0.101238145440E+03 -0.45378E+01 -0.45284E+01 704 0.289E+01
DAV: 5 -0.101327494545E+03 -0.89349E-01 -0.89311E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926689482001E+02 0.86585E+01 -0.30877E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918025866229E+02 0.86636E+00 -0.17109E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914262741285E+02 0.37631E+00 -0.54240E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913434928711E+02 0.82781E-01 -0.13132E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913346338911E+02 0.88590E-02 -0.45595E-02 784 0.111E+00 0.303E-01
DAV: 11 -0.913391214921E+02 -0.44876E-02 -0.13030E-02 616 0.595E-01 0.144E-01
DAV: 12 -0.913420517314E+02 -0.29302E-02 -0.29764E-03 623 0.247E-01 0.110E-01
DAV: 13 -0.913458244503E+02 -0.37727E-02 -0.13856E-03 688 0.203E-01 0.447E-02
DAV: 14 -0.913493734865E+02 -0.35490E-02 -0.71214E-04 661 0.149E-01 0.367E-02
DAV: 15 -0.913505440769E+02 -0.11706E-02 -0.12488E-04 704 0.772E-02 0.351E-02
DAV: 16 -0.913520273830E+02 -0.14833E-02 -0.42193E-04 633 0.107E-01 0.228E-02
DAV: 17 -0.913523312902E+02 -0.30391E-03 -0.81695E-05 752 0.702E-02 0.122E-02
DAV: 18 -0.913525578709E+02 -0.22658E-03 -0.37890E-05 570 0.278E-02 0.114E-02
DAV: 19 -0.913526696570E+02 -0.11179E-03 -0.14030E-05 472 0.188E-02 0.512E-03
DAV: 20 -0.913527021695E+02 -0.32512E-04 -0.84934E-06 456 0.175E-02 0.187E-03
DAV: 21 -0.913527243555E+02 -0.22186E-04 -0.39065E-06 428 0.895E-03 0.222E-03
DAV: 22 -0.913527291902E+02 -0.48346E-05 -0.85176E-07 472 0.437E-03
1 F= -.91352729E+02 E0= -.91357574E+02 d E =0.145350E-01