iterations/neb0_image06_iter127_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 0.374865761508E+03 0.37487E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.380138626360E+01 -0.37106E+03 -0.35920E+03 882 0.194E+02
DAV: 3 -0.955133647991E+02 -0.99315E+02 -0.98999E+02 648 0.116E+02
DAV: 4 -0.100285850748E+03 -0.47725E+01 -0.47589E+01 704 0.294E+01
DAV: 5 -0.100384299286E+03 -0.98449E-01 -0.98402E-01 741 0.377E+00 0.225E+01
DAV: 6 -0.918346013459E+02 0.85497E+01 -0.30768E+01 709 0.305E+01 0.117E+01
DAV: 7 -0.910328241307E+02 0.80178E+00 -0.17463E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.906572074668E+02 0.37562E+00 -0.49775E-01 720 0.400E+00 0.169E+00
DAV: 9 -0.905647019491E+02 0.92506E-01 -0.13709E-01 720 0.168E+00 0.418E-01
DAV: 10 -0.905557823455E+02 0.89196E-02 -0.41871E-02 784 0.108E+00 0.299E-01
DAV: 11 -0.905601926662E+02 -0.44103E-02 -0.13447E-02 602 0.658E-01 0.164E-01
DAV: 12 -0.905616760201E+02 -0.14834E-02 -0.19604E-03 674 0.269E-01 0.118E-01
DAV: 13 -0.905664727511E+02 -0.47967E-02 -0.47077E-03 708 0.477E-01 0.805E-02
DAV: 14 -0.905677709607E+02 -0.12982E-02 -0.89738E-04 720 0.183E-01 0.622E-02
DAV: 15 -0.905700922844E+02 -0.23213E-02 -0.73767E-04 618 0.148E-01 0.316E-02
DAV: 16 -0.905722423937E+02 -0.21501E-02 -0.28097E-04 650 0.842E-02 0.386E-02
DAV: 17 -0.905731553403E+02 -0.91295E-03 -0.21216E-04 813 0.127E-01 0.172E-02
DAV: 18 -0.905735026302E+02 -0.34729E-03 -0.22477E-04 656 0.932E-02 0.210E-02
DAV: 19 -0.905737462860E+02 -0.24366E-03 -0.39278E-05 628 0.332E-02 0.143E-02
DAV: 20 -0.905738126042E+02 -0.66318E-04 -0.99308E-06 485 0.203E-02 0.798E-03
DAV: 21 -0.905738792360E+02 -0.66632E-04 -0.51902E-05 534 0.402E-02 0.120E-02
DAV: 22 -0.905738782363E+02 0.99961E-06 -0.64345E-06 512 0.193E-02
1 F= -.90573878E+02 E0= -.90579538E+02 d E =0.169783E-01