iterations/neb0_image08_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 0.375018635624E+03 0.37502E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.368244724173E+01 -0.37134E+03 -0.35911E+03 866 0.196E+02
DAV: 3 -0.967211911799E+02 -0.10040E+03 -0.10009E+03 669 0.117E+02
DAV: 4 -0.101254202909E+03 -0.45330E+01 -0.45209E+01 728 0.284E+01
DAV: 5 -0.101343240058E+03 -0.89037E-01 -0.88992E-01 712 0.360E+00 0.228E+01
DAV: 6 -0.926489290417E+02 0.86943E+01 -0.30849E+01 704 0.300E+01 0.119E+01
DAV: 7 -0.917715593477E+02 0.87737E+00 -0.17351E+00 720 0.615E+00 0.481E+00
DAV: 8 -0.913924360971E+02 0.37912E+00 -0.55495E-01 720 0.400E+00 0.161E+00
DAV: 9 -0.913122715829E+02 0.80165E-01 -0.13135E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.913039805204E+02 0.82911E-02 -0.44429E-02 768 0.110E+00 0.301E-01
DAV: 11 -0.913085285423E+02 -0.45480E-02 -0.12423E-02 608 0.582E-01 0.139E-01
DAV: 12 -0.913115296322E+02 -0.30011E-02 -0.27811E-03 625 0.251E-01 0.994E-02
DAV: 13 -0.913149553782E+02 -0.34257E-02 -0.11282E-03 637 0.173E-01 0.476E-02
DAV: 14 -0.913183605454E+02 -0.34052E-02 -0.79072E-04 669 0.175E-01 0.353E-02
DAV: 15 -0.913196071068E+02 -0.12466E-02 -0.19213E-04 688 0.888E-02 0.362E-02
DAV: 16 -0.913210035436E+02 -0.13964E-02 -0.36147E-04 649 0.102E-01 0.185E-02
DAV: 17 -0.913214585888E+02 -0.45505E-03 -0.64747E-05 656 0.566E-02 0.134E-02
DAV: 18 -0.913216950079E+02 -0.23642E-03 -0.48236E-05 634 0.351E-02 0.113E-02
DAV: 19 -0.913218002276E+02 -0.10522E-03 -0.14672E-05 469 0.205E-02 0.541E-03
DAV: 20 -0.913218282556E+02 -0.28028E-04 -0.59404E-06 480 0.140E-02 0.216E-03
DAV: 21 -0.913218522266E+02 -0.23971E-04 -0.49514E-06 409 0.119E-02 0.193E-03
DAV: 22 -0.913218587183E+02 -0.64917E-05 -0.14158E-06 477 0.507E-03
1 F= -.91321859E+02 E0= -.91326652E+02 d E =0.143791E-01