iterations/neb0_image06_iter97_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 0.374798813430E+03 0.37480E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.355903098582E+01 -0.37124E+03 -0.35913E+03 877 0.195E+02
DAV: 3 -0.955955385642E+02 -0.99155E+02 -0.98830E+02 656 0.116E+02
DAV: 4 -0.100175223821E+03 -0.45797E+01 -0.45687E+01 704 0.289E+01
DAV: 5 -0.100269288915E+03 -0.94065E-01 -0.94025E-01 744 0.368E+00 0.225E+01
DAV: 6 -0.916719267903E+02 0.85974E+01 -0.30954E+01 698 0.306E+01 0.117E+01
DAV: 7 -0.908494574187E+02 0.82247E+00 -0.17074E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.904680904712E+02 0.38137E+00 -0.53604E-01 712 0.409E+00 0.166E+00
DAV: 9 -0.903769473429E+02 0.91143E-01 -0.13049E-01 728 0.160E+00 0.420E-01
DAV: 10 -0.903666408273E+02 0.10307E-01 -0.46907E-02 720 0.110E+00 0.309E-01
DAV: 11 -0.903712129242E+02 -0.45721E-02 -0.12760E-02 621 0.618E-01 0.162E-01
DAV: 12 -0.903733896534E+02 -0.21767E-02 -0.25208E-03 652 0.249E-01 0.128E-01
DAV: 13 -0.903780786906E+02 -0.46890E-02 -0.34931E-03 650 0.360E-01 0.686E-02
DAV: 14 -0.903798607742E+02 -0.17821E-02 -0.41359E-04 704 0.126E-01 0.514E-02
DAV: 15 -0.903831952982E+02 -0.33345E-02 -0.84342E-04 663 0.164E-01 0.339E-02
DAV: 16 -0.903839127117E+02 -0.71741E-03 -0.12145E-04 733 0.639E-02 0.277E-02
DAV: 17 -0.903843964708E+02 -0.48376E-03 -0.92113E-05 663 0.589E-02 0.125E-02
DAV: 18 -0.903850901397E+02 -0.69367E-03 -0.98691E-05 636 0.433E-02 0.775E-03
DAV: 19 -0.903851607289E+02 -0.70589E-04 -0.47015E-06 528 0.151E-02 0.670E-03
DAV: 20 -0.903852497301E+02 -0.89001E-04 -0.14483E-05 421 0.200E-02 0.548E-03
DAV: 21 -0.903852608652E+02 -0.11135E-04 -0.32932E-06 517 0.119E-02 0.322E-03
DAV: 22 -0.903852767626E+02 -0.15897E-04 -0.51431E-06 397 0.148E-02 0.183E-03
DAV: 23 -0.903852824985E+02 -0.57359E-05 -0.18898E-06 464 0.736E-03
1 F= -.90385282E+02 E0= -.90389480E+02 d E =0.125939E-01