./iterations/neb0_image09_iter103_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 0.374673163131E+03 0.37467E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.248573185172E+01 -0.37219E+03 -0.35985E+03 877 0.196E+02
DAV: 3 -0.968141894623E+02 -0.99300E+02 -0.98963E+02 664 0.117E+02
DAV: 4 -0.101248071497E+03 -0.44339E+01 -0.44248E+01 696 0.285E+01
DAV: 5 -0.101334963520E+03 -0.86892E-01 -0.86854E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926732371863E+02 0.86617E+01 -0.30879E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918026972341E+02 0.87054E+00 -0.17135E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914252346676E+02 0.37746E+00 -0.54524E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913431374477E+02 0.82097E-01 -0.13084E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913343120358E+02 0.88254E-02 -0.45876E-02 776 0.112E+00 0.303E-01
DAV: 11 -0.913387241984E+02 -0.44122E-02 -0.12733E-02 616 0.590E-01 0.140E-01
DAV: 12 -0.913417326253E+02 -0.30084E-02 -0.29734E-03 620 0.244E-01 0.116E-01
DAV: 13 -0.913455296738E+02 -0.37970E-02 -0.15719E-03 728 0.218E-01 0.432E-02
DAV: 14 -0.913488068296E+02 -0.32772E-02 -0.55710E-04 661 0.126E-01 0.352E-02
DAV: 15 -0.913504263790E+02 -0.16195E-02 -0.15063E-04 696 0.748E-02 0.346E-02
DAV: 16 -0.913517122304E+02 -0.12859E-02 -0.33783E-04 650 0.911E-02 0.197E-02
DAV: 17 -0.913519997067E+02 -0.28748E-03 -0.54544E-05 688 0.538E-02 0.126E-02
DAV: 18 -0.913522542193E+02 -0.25451E-03 -0.43645E-05 556 0.297E-02 0.111E-02
DAV: 19 -0.913523190592E+02 -0.64840E-04 -0.84574E-06 488 0.178E-02 0.535E-03
DAV: 20 -0.913523523097E+02 -0.33251E-04 -0.12254E-05 440 0.223E-02 0.283E-03
DAV: 21 -0.913523712204E+02 -0.18911E-04 -0.31390E-06 448 0.908E-03 0.292E-03
DAV: 22 -0.913523774479E+02 -0.62275E-05 -0.10857E-06 434 0.580E-03
1 F= -.91352377E+02 E0= -.91357193E+02 d E =0.144478E-01