iterations/neb0_image01_iter33_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 0.366279788306E+03 0.36628E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.305863127392E+01 -0.36322E+03 -0.34987E+03 847 0.195E+02
DAV: 3 -0.955730423060E+02 -0.98632E+02 -0.98283E+02 672 0.116E+02
DAV: 4 -0.100156583898E+03 -0.45835E+01 -0.45735E+01 685 0.285E+01
DAV: 5 -0.100249337037E+03 -0.92753E-01 -0.92697E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916473559876E+02 0.86020E+01 -0.30981E+01 712 0.298E+01 0.117E+01
DAV: 7 -0.908304793839E+02 0.81688E+00 -0.18298E+00 712 0.637E+00 0.483E+00
DAV: 8 -0.904492297589E+02 0.38125E+00 -0.56642E-01 704 0.432E+00 0.168E+00
DAV: 9 -0.903639020105E+02 0.85328E-01 -0.13728E-01 712 0.165E+00 0.430E-01
DAV: 10 -0.903580685136E+02 0.58335E-02 -0.43129E-02 728 0.124E+00 0.310E-01
DAV: 11 -0.903618464910E+02 -0.37780E-02 -0.64133E-03 605 0.455E-01 0.151E-01
DAV: 12 -0.903652421629E+02 -0.33957E-02 -0.65423E-03 618 0.486E-01 0.121E-01
DAV: 13 -0.903680692406E+02 -0.28271E-02 -0.10962E-03 776 0.279E-01 0.771E-02
DAV: 14 -0.903710279303E+02 -0.29587E-02 -0.16486E-03 637 0.196E-01 0.567E-02
DAV: 15 -0.903732010570E+02 -0.21731E-02 -0.37709E-04 752 0.135E-01 0.369E-02
DAV: 16 -0.903744213048E+02 -0.12202E-02 -0.48740E-04 664 0.122E-01 0.327E-02
DAV: 17 -0.903753255886E+02 -0.90428E-03 -0.16166E-04 735 0.867E-02 0.188E-02
DAV: 18 -0.903755363813E+02 -0.21079E-03 -0.51952E-05 696 0.364E-02 0.118E-02
DAV: 19 -0.903757590132E+02 -0.22263E-03 -0.49437E-05 630 0.352E-02 0.712E-03
DAV: 20 -0.903757907786E+02 -0.31765E-04 -0.28844E-06 496 0.133E-02 0.533E-03
DAV: 21 -0.903758342475E+02 -0.43469E-04 -0.11494E-05 405 0.192E-02 0.198E-03
DAV: 22 -0.903758462602E+02 -0.12013E-04 -0.22255E-06 477 0.818E-03 0.165E-03
DAV: 23 -0.903758501371E+02 -0.38768E-05 -0.66138E-07 440 0.342E-03
1 F= -.90375850E+02 E0= -.90381342E+02 d E =0.164749E-01