iterations/neb0_image03_iter193_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 0.364146804063E+03 0.36415E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.510873069156E-01 -0.36410E+03 -0.35400E+03 858 0.195E+02
DAV: 3 -0.960964087292E+02 -0.96147E+02 -0.95839E+02 666 0.115E+02
DAV: 4 -0.100278609096E+03 -0.41822E+01 -0.41708E+01 712 0.273E+01
DAV: 5 -0.100360911045E+03 -0.82302E-01 -0.82264E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917281223536E+02 0.86328E+01 -0.31011E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908846477814E+02 0.84347E+00 -0.18235E+00 704 0.636E+00 0.484E+00
DAV: 8 -0.904871251847E+02 0.39752E+00 -0.56390E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.903903148567E+02 0.96810E-01 -0.13124E-01 720 0.178E+00 0.443E-01
DAV: 10 -0.903820561967E+02 0.82587E-02 -0.55686E-02 712 0.133E+00 0.356E-01
DAV: 11 -0.903863081304E+02 -0.42519E-02 -0.13260E-02 624 0.741E-01 0.134E-01
DAV: 12 -0.903885591031E+02 -0.22510E-02 -0.59308E-03 637 0.365E-01 0.136E-01
DAV: 13 -0.903918756753E+02 -0.33166E-02 -0.28414E-03 826 0.426E-01 0.798E-02
DAV: 14 -0.903957933570E+02 -0.39177E-02 -0.17206E-03 669 0.252E-01 0.721E-02
DAV: 15 -0.903975714901E+02 -0.17781E-02 -0.25557E-04 680 0.897E-02 0.456E-02
DAV: 16 -0.903993866295E+02 -0.18151E-02 -0.71856E-04 645 0.156E-01 0.289E-02
DAV: 17 -0.904000838958E+02 -0.69727E-03 -0.73955E-05 680 0.599E-02 0.253E-02
DAV: 18 -0.904007175412E+02 -0.63365E-03 -0.23480E-04 706 0.978E-02 0.131E-02
DAV: 19 -0.904008599069E+02 -0.14237E-03 -0.27414E-05 576 0.382E-02 0.797E-03
DAV: 20 -0.904009726854E+02 -0.11278E-03 -0.29806E-05 533 0.256E-02 0.326E-03
DAV: 21 -0.904010097853E+02 -0.37100E-04 -0.30707E-06 488 0.111E-02 0.225E-03
DAV: 22 -0.904010453619E+02 -0.35577E-04 -0.74063E-06 426 0.158E-02 0.219E-03
DAV: 23 -0.904010518459E+02 -0.64840E-05 -0.19554E-06 512 0.844E-03
1 F= -.90401052E+02 E0= -.90406399E+02 d E =0.160408E-01