iterations/neb0_image09_iter132_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 0.374354854034E+03 0.37435E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.244623110000E+01 -0.37191E+03 -0.35963E+03 877 0.196E+02
DAV: 3 -0.966938803756E+02 -0.99140E+02 -0.98803E+02 656 0.116E+02
DAV: 4 -0.101231863999E+03 -0.45380E+01 -0.45284E+01 704 0.289E+01
DAV: 5 -0.101321465831E+03 -0.89602E-01 -0.89562E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926714055769E+02 0.86501E+01 -0.30871E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918058547281E+02 0.86555E+00 -0.17096E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914293053957E+02 0.37655E+00 -0.54466E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913473316784E+02 0.81974E-01 -0.13086E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913385815691E+02 0.87501E-02 -0.45559E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913429616297E+02 -0.43801E-02 -0.12705E-02 624 0.587E-01 0.140E-01
DAV: 12 -0.913459749557E+02 -0.30133E-02 -0.29740E-03 626 0.246E-01 0.112E-01
DAV: 13 -0.913497252198E+02 -0.37503E-02 -0.13955E-03 709 0.205E-01 0.437E-02
DAV: 14 -0.913530347910E+02 -0.33096E-02 -0.61158E-04 672 0.136E-01 0.348E-02
DAV: 15 -0.913545173517E+02 -0.14826E-02 -0.13900E-04 712 0.736E-02 0.343E-02
DAV: 16 -0.913558829823E+02 -0.13656E-02 -0.35381E-04 644 0.947E-02 0.196E-02
DAV: 17 -0.913562100873E+02 -0.32711E-03 -0.67357E-05 744 0.602E-02 0.125E-02
DAV: 18 -0.913564337218E+02 -0.22363E-03 -0.35136E-05 570 0.260E-02 0.104E-02
DAV: 19 -0.913565213300E+02 -0.87608E-04 -0.10599E-05 480 0.171E-02 0.463E-03
DAV: 20 -0.913565546058E+02 -0.33276E-04 -0.93409E-06 448 0.191E-02 0.233E-03
DAV: 21 -0.913565722525E+02 -0.17647E-04 -0.28984E-06 442 0.812E-03 0.245E-03
DAV: 22 -0.913565759903E+02 -0.37378E-05 -0.82376E-07 474 0.536E-03
1 F= -.91356576E+02 E0= -.91361380E+02 d E =0.144119E-01