iterations/neb0_image01_iter41_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 0.366910990605E+03 0.36691E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.349110599166E+01 -0.36342E+03 -0.34999E+03 839 0.195E+02
DAV: 3 -0.956282327597E+02 -0.99119E+02 -0.98777E+02 669 0.116E+02
DAV: 4 -0.100204088428E+03 -0.45759E+01 -0.45660E+01 693 0.287E+01
DAV: 5 -0.100295039237E+03 -0.90951E-01 -0.90898E-01 736 0.361E+00 0.223E+01
DAV: 6 -0.916681429333E+02 0.86269E+01 -0.31026E+01 704 0.298E+01 0.117E+01
DAV: 7 -0.908481334196E+02 0.82001E+00 -0.18368E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904665281219E+02 0.38161E+00 -0.56111E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903808770512E+02 0.85651E-01 -0.13724E-01 696 0.165E+00 0.429E-01
DAV: 10 -0.903751315614E+02 0.57455E-02 -0.44873E-02 728 0.125E+00 0.315E-01
DAV: 11 -0.903789502968E+02 -0.38187E-02 -0.66602E-03 605 0.473E-01 0.145E-01
DAV: 12 -0.903824007174E+02 -0.34504E-02 -0.66572E-03 618 0.475E-01 0.124E-01
DAV: 13 -0.903851837464E+02 -0.27830E-02 -0.12040E-03 813 0.292E-01 0.761E-02
DAV: 14 -0.903881324908E+02 -0.29487E-02 -0.15102E-03 637 0.186E-01 0.581E-02
DAV: 15 -0.903903384685E+02 -0.22060E-02 -0.41744E-04 720 0.132E-01 0.427E-02
DAV: 16 -0.903915382497E+02 -0.11998E-02 -0.59622E-04 672 0.138E-01 0.330E-02
DAV: 17 -0.903924270818E+02 -0.88883E-03 -0.16666E-04 751 0.879E-02 0.200E-02
DAV: 18 -0.903925976697E+02 -0.17059E-03 -0.40190E-05 704 0.318E-02 0.131E-02
DAV: 19 -0.903928626976E+02 -0.26503E-03 -0.56891E-05 624 0.382E-02 0.487E-03
DAV: 20 -0.903929013566E+02 -0.38659E-04 -0.39579E-06 480 0.119E-02 0.469E-03
DAV: 21 -0.903929460456E+02 -0.44689E-04 -0.64435E-06 413 0.144E-02 0.301E-03
DAV: 22 -0.903929635971E+02 -0.17551E-04 -0.34840E-06 477 0.972E-03 0.199E-03
DAV: 23 -0.903929662028E+02 -0.26058E-05 -0.13315E-06 504 0.658E-03
1 F= -.90392966E+02 E0= -.90398723E+02 d E =0.172690E-01