./iterations/neb0_image08_iter294_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 0.374850486910E+03 0.37485E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.369257029495E+01 -0.37116E+03 -0.35971E+03 877 0.196E+02
DAV: 3 -0.964254733464E+02 -0.10012E+03 -0.99765E+02 648 0.117E+02
DAV: 4 -0.101238306698E+03 -0.48128E+01 -0.48015E+01 704 0.299E+01
DAV: 5 -0.101333836008E+03 -0.95529E-01 -0.95488E-01 736 0.381E+00 0.227E+01
DAV: 6 -0.926507539417E+02 0.86831E+01 -0.30925E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.917861667398E+02 0.86459E+00 -0.17133E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914127543260E+02 0.37341E+00 -0.53522E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.913297337097E+02 0.83021E-01 -0.12983E-01 736 0.153E+00 0.422E-01
DAV: 10 -0.913209094209E+02 0.88243E-02 -0.44578E-02 733 0.107E+00 0.302E-01
DAV: 11 -0.913259298172E+02 -0.50204E-02 -0.14466E-02 608 0.619E-01 0.162E-01
DAV: 12 -0.913287840782E+02 -0.28543E-02 -0.27858E-03 634 0.228E-01 0.113E-01
DAV: 13 -0.913326987775E+02 -0.39147E-02 -0.29457E-03 639 0.283E-01 0.607E-02
DAV: 14 -0.913356470629E+02 -0.29483E-02 -0.79253E-04 680 0.167E-01 0.232E-02
DAV: 15 -0.913374941493E+02 -0.18471E-02 -0.20960E-04 656 0.658E-02 0.188E-02
DAV: 16 -0.913383562179E+02 -0.86207E-03 -0.10526E-04 661 0.634E-02 0.105E-02
DAV: 17 -0.913389039844E+02 -0.54777E-03 -0.64263E-05 653 0.332E-02 0.109E-02
DAV: 18 -0.913389910693E+02 -0.87085E-04 -0.81454E-06 520 0.229E-02 0.568E-03
DAV: 19 -0.913391333484E+02 -0.14228E-03 -0.33718E-05 537 0.286E-02 0.629E-03
DAV: 20 -0.913391397435E+02 -0.63951E-05 -0.20672E-06 520 0.128E-02
1 F= -.91339140E+02 E0= -.91343960E+02 d E =0.144594E-01