./iterations/neb0_image06_iter169_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 0.371018088765E+03 0.37102E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.343260691276E+01 -0.36759E+03 -0.35585E+03 877 0.193E+02
DAV: 3 -0.959761106444E+02 -0.99409E+02 -0.99074E+02 682 0.116E+02
DAV: 4 -0.100519837014E+03 -0.45437E+01 -0.45318E+01 704 0.280E+01
DAV: 5 -0.100609870217E+03 -0.90033E-01 -0.89984E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.920405871041E+02 0.85693E+01 -0.30689E+01 717 0.303E+01 0.118E+01
DAV: 7 -0.912177716335E+02 0.82282E+00 -0.17322E+00 720 0.627E+00 0.480E+00
DAV: 8 -0.908434441255E+02 0.37433E+00 -0.53740E-01 728 0.406E+00 0.168E+00
DAV: 9 -0.907536853606E+02 0.89759E-01 -0.13072E-01 728 0.160E+00 0.422E-01
DAV: 10 -0.907437590962E+02 0.99263E-02 -0.35613E-02 784 0.944E-01 0.281E-01
DAV: 11 -0.907477891487E+02 -0.40301E-02 -0.90968E-03 602 0.500E-01 0.141E-01
DAV: 12 -0.907503921116E+02 -0.26030E-02 -0.18512E-03 645 0.254E-01 0.842E-02
DAV: 13 -0.907545863171E+02 -0.41942E-02 -0.19889E-03 636 0.217E-01 0.675E-02
DAV: 14 -0.907571422307E+02 -0.25559E-02 -0.83687E-04 888 0.217E-01 0.343E-02
DAV: 15 -0.907595820867E+02 -0.24399E-02 -0.42817E-04 615 0.998E-02 0.421E-02
DAV: 16 -0.907607225788E+02 -0.11405E-02 -0.23399E-04 752 0.101E-01 0.191E-02
DAV: 17 -0.907616732469E+02 -0.95067E-03 -0.18576E-04 674 0.663E-02 0.157E-02
DAV: 18 -0.907619140321E+02 -0.24079E-03 -0.19682E-05 512 0.255E-02 0.915E-03
DAV: 19 -0.907620644447E+02 -0.15041E-03 -0.37798E-05 612 0.298E-02 0.467E-03
DAV: 20 -0.907620692519E+02 -0.48072E-05 -0.21570E-06 544 0.838E-03
1 F= -.90762069E+02 E0= -.90767464E+02 d E =0.161835E-01