./iterations/neb0_image09_iter56_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 0.374569180929E+03 0.37457E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251771323897E+01 -0.37205E+03 -0.35969E+03 877 0.196E+02
DAV: 3 -0.968549895011E+02 -0.99373E+02 -0.99037E+02 672 0.117E+02
DAV: 4 -0.101233850235E+03 -0.43789E+01 -0.43699E+01 696 0.280E+01
DAV: 5 -0.101320006548E+03 -0.86156E-01 -0.86119E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926669563691E+02 0.86531E+01 -0.30887E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.917986302768E+02 0.86833E+00 -0.17135E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914205928398E+02 0.37804E+00 -0.54666E-01 712 0.397E+00 0.162E+00
DAV: 9 -0.913383939871E+02 0.82199E-01 -0.13022E-01 701 0.154E+00 0.424E-01
DAV: 10 -0.913294506610E+02 0.89433E-02 -0.46656E-02 760 0.113E+00 0.305E-01
DAV: 11 -0.913340839077E+02 -0.46332E-02 -0.13824E-02 610 0.611E-01 0.150E-01
DAV: 12 -0.913369964340E+02 -0.29125E-02 -0.30672E-03 631 0.244E-01 0.121E-01
DAV: 13 -0.913408709811E+02 -0.38745E-02 -0.20372E-03 720 0.248E-01 0.456E-02
DAV: 14 -0.913440795344E+02 -0.32086E-02 -0.51662E-04 661 0.127E-01 0.306E-02
DAV: 15 -0.913457755474E+02 -0.16960E-02 -0.15594E-04 672 0.671E-02 0.333E-02
DAV: 16 -0.913469068171E+02 -0.11313E-02 -0.28162E-04 661 0.888E-02 0.173E-02
DAV: 17 -0.913472126023E+02 -0.30579E-03 -0.36773E-05 672 0.460E-02 0.134E-02
DAV: 18 -0.913474507614E+02 -0.23816E-03 -0.50555E-05 637 0.372E-02 0.106E-02
DAV: 19 -0.913475570175E+02 -0.10626E-03 -0.10551E-05 472 0.240E-02 0.447E-03
DAV: 20 -0.913475959117E+02 -0.38894E-04 -0.12430E-05 456 0.185E-02 0.257E-03
DAV: 21 -0.913476157150E+02 -0.19803E-04 -0.26998E-06 434 0.763E-03 0.223E-03
DAV: 22 -0.913476204178E+02 -0.47028E-05 -0.10021E-06 461 0.598E-03
1 F= -.91347620E+02 E0= -.91352408E+02 d E =0.143635E-01