iterations/neb0_image06_iter109_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 0.376308006748E+03 0.37631E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.392273784745E+01 -0.37239E+03 -0.36036E+03 877 0.195E+02
DAV: 3 -0.955623431244E+02 -0.99485E+02 -0.99154E+02 645 0.117E+02
DAV: 4 -0.100285396620E+03 -0.47231E+01 -0.47121E+01 704 0.294E+01
DAV: 5 -0.100382242864E+03 -0.96846E-01 -0.96797E-01 728 0.375E+00 0.227E+01
DAV: 6 -0.917751970365E+02 0.86070E+01 -0.30734E+01 695 0.304E+01 0.118E+01
DAV: 7 -0.909391612866E+02 0.83604E+00 -0.17113E+00 728 0.626E+00 0.480E+00
DAV: 8 -0.905607694110E+02 0.37839E+00 -0.51546E-01 720 0.400E+00 0.165E+00
DAV: 9 -0.904715213535E+02 0.89248E-01 -0.13074E-01 720 0.166E+00 0.419E-01
DAV: 10 -0.904625114242E+02 0.90099E-02 -0.40013E-02 752 0.104E+00 0.298E-01
DAV: 11 -0.904669414565E+02 -0.44300E-02 -0.13048E-02 610 0.670E-01 0.168E-01
DAV: 12 -0.904682942158E+02 -0.13528E-02 -0.21698E-03 674 0.282E-01 0.117E-01
DAV: 13 -0.904730060520E+02 -0.47118E-02 -0.44872E-03 686 0.484E-01 0.821E-02
DAV: 14 -0.904745749580E+02 -0.15689E-02 -0.87354E-04 712 0.179E-01 0.659E-02
DAV: 15 -0.904767334287E+02 -0.21585E-02 -0.65576E-04 637 0.137E-01 0.302E-02
DAV: 16 -0.904790480150E+02 -0.23146E-02 -0.28647E-04 658 0.889E-02 0.350E-02
DAV: 17 -0.904797371846E+02 -0.68917E-03 -0.10130E-04 765 0.911E-02 0.238E-02
DAV: 18 -0.904804007630E+02 -0.66358E-03 -0.27803E-04 751 0.132E-01 0.148E-02
DAV: 19 -0.904805663568E+02 -0.16559E-03 -0.67704E-05 685 0.482E-02 0.156E-02
DAV: 20 -0.904806117604E+02 -0.45404E-04 -0.10888E-05 512 0.228E-02 0.923E-03
DAV: 21 -0.904807043214E+02 -0.92561E-04 -0.69727E-05 537 0.545E-02 0.165E-02
DAV: 22 -0.904807012571E+02 0.30643E-05 -0.22321E-05 656 0.323E-02
1 F= -.90480701E+02 E0= -.90486011E+02 d E =0.159280E-01