./iterations/neb0_image03_iter259_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 0.363593414764E+03 0.36359E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.605277522587E+00 -0.36299E+03 -0.35250E+03 853 0.195E+02
DAV: 3 -0.960941848840E+02 -0.96699E+02 -0.96402E+02 661 0.115E+02
DAV: 4 -0.100340238159E+03 -0.42461E+01 -0.42365E+01 712 0.280E+01
DAV: 5 -0.100422443148E+03 -0.82205E-01 -0.82179E-01 744 0.350E+00 0.223E+01
DAV: 6 -0.917282121422E+02 0.86942E+01 -0.31371E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908849949771E+02 0.84322E+00 -0.17989E+00 720 0.633E+00 0.485E+00
DAV: 8 -0.904921818450E+02 0.39281E+00 -0.55514E-01 696 0.427E+00 0.170E+00
DAV: 9 -0.904000926980E+02 0.92089E-01 -0.13358E-01 712 0.168E+00 0.436E-01
DAV: 10 -0.903936707688E+02 0.64219E-02 -0.47607E-02 712 0.120E+00 0.334E-01
DAV: 11 -0.903982554439E+02 -0.45847E-02 -0.84255E-03 624 0.646E-01 0.119E-01
DAV: 12 -0.904011459055E+02 -0.28905E-02 -0.48134E-03 632 0.327E-01 0.116E-01
DAV: 13 -0.904054370795E+02 -0.42912E-02 -0.16355E-03 805 0.276E-01 0.875E-02
DAV: 14 -0.904085382913E+02 -0.31012E-02 -0.11016E-03 661 0.149E-01 0.514E-02
DAV: 15 -0.904107966095E+02 -0.22583E-02 -0.35417E-04 669 0.941E-02 0.266E-02
DAV: 16 -0.904122201829E+02 -0.14236E-02 -0.29017E-04 661 0.860E-02 0.234E-02
DAV: 17 -0.904128359243E+02 -0.61574E-03 -0.85580E-05 744 0.557E-02 0.120E-02
DAV: 18 -0.904130938492E+02 -0.25792E-03 -0.64908E-05 664 0.415E-02 0.127E-02
DAV: 19 -0.904131630786E+02 -0.69229E-04 -0.12955E-05 496 0.284E-02 0.525E-03
DAV: 20 -0.904132423241E+02 -0.79245E-04 -0.24578E-05 557 0.251E-02 0.551E-03
DAV: 21 -0.904132754409E+02 -0.33117E-04 -0.57343E-06 477 0.194E-02 0.204E-03
DAV: 22 -0.904132884980E+02 -0.13057E-04 -0.47730E-06 448 0.112E-02 0.346E-03
DAV: 23 -0.904132926831E+02 -0.41850E-05 -0.88039E-07 474 0.744E-03
1 F= -.90413293E+02 E0= -.90421193E+02 d E =0.236998E-01