iterations/neb0_image08_iter215_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 0.373514929014E+03 0.37351E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.351338701989E+01 -0.37000E+03 -0.35756E+03 869 0.196E+02
DAV: 3 -0.967459047383E+02 -0.10026E+03 -0.99949E+02 669 0.116E+02
DAV: 4 -0.101252723417E+03 -0.45068E+01 -0.44936E+01 720 0.284E+01
DAV: 5 -0.101340364639E+03 -0.87641E-01 -0.87588E-01 736 0.359E+00 0.227E+01
DAV: 6 -0.926547537078E+02 0.86856E+01 -0.31063E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917903643025E+02 0.86439E+00 -0.17348E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914149499530E+02 0.37541E+00 -0.53830E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913346635203E+02 0.80286E-01 -0.13326E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913268924825E+02 0.77710E-02 -0.46062E-02 752 0.111E+00 0.304E-01
DAV: 11 -0.913318936265E+02 -0.50011E-02 -0.15108E-02 616 0.641E-01 0.157E-01
DAV: 12 -0.913346404574E+02 -0.27468E-02 -0.29212E-03 633 0.241E-01 0.112E-01
DAV: 13 -0.913382335147E+02 -0.35931E-02 -0.24385E-03 650 0.259E-01 0.514E-02
DAV: 14 -0.913415208875E+02 -0.32874E-02 -0.92073E-04 653 0.183E-01 0.328E-02
DAV: 15 -0.913426664652E+02 -0.11456E-02 -0.21252E-04 696 0.858E-02 0.244E-02
DAV: 16 -0.913436077260E+02 -0.94126E-03 -0.16437E-04 645 0.778E-02 0.111E-02
DAV: 17 -0.913442308071E+02 -0.62308E-03 -0.57219E-05 650 0.345E-02 0.132E-02
DAV: 18 -0.913444244233E+02 -0.19362E-03 -0.22246E-05 568 0.281E-02 0.623E-03
DAV: 19 -0.913445588368E+02 -0.13441E-03 -0.24729E-05 497 0.232E-02 0.507E-03
DAV: 20 -0.913445742066E+02 -0.15370E-04 -0.20135E-06 520 0.108E-02 0.279E-03
DAV: 21 -0.913445906624E+02 -0.16456E-04 -0.62479E-06 392 0.152E-02 0.285E-03
DAV: 22 -0.913445929571E+02 -0.22947E-05 -0.10029E-06 496 0.856E-03
1 F= -.91344593E+02 E0= -.91349549E+02 d E =0.148670E-01