./iterations/neb0_image04_iter131_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 0.369546286441E+03 0.36955E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.456588403251E+01 -0.36498E+03 -0.35181E+03 850 0.195E+02
DAV: 3 -0.954860686963E+02 -0.10005E+03 -0.99724E+02 682 0.116E+02
DAV: 4 -0.999602026425E+02 -0.44741E+01 -0.44629E+01 712 0.279E+01
DAV: 5 -0.100047124790E+03 -0.86922E-01 -0.86876E-01 728 0.350E+00 0.222E+01
DAV: 6 -0.914726930660E+02 0.85744E+01 -0.30235E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.906153610216E+02 0.85733E+00 -0.17715E+00 704 0.630E+00 0.480E+00
DAV: 8 -0.902150695385E+02 0.40029E+00 -0.55891E-01 720 0.422E+00 0.164E+00
DAV: 9 -0.901213159191E+02 0.93754E-01 -0.13109E-01 720 0.185E+00 0.439E-01
DAV: 10 -0.901129439006E+02 0.83720E-02 -0.42269E-02 712 0.104E+00 0.333E-01
DAV: 11 -0.901181776856E+02 -0.52338E-02 -0.17574E-02 608 0.884E-01 0.202E-01
DAV: 12 -0.901186935629E+02 -0.51588E-03 -0.51537E-03 664 0.435E-01 0.145E-01
DAV: 13 -0.901230889954E+02 -0.43954E-02 -0.78087E-03 612 0.578E-01 0.119E-01
DAV: 14 -0.901255395719E+02 -0.24506E-02 -0.10964E-03 680 0.207E-01 0.854E-02
DAV: 15 -0.901279690380E+02 -0.24295E-02 -0.94138E-04 655 0.160E-01 0.258E-02
DAV: 16 -0.901304129181E+02 -0.24439E-02 -0.37098E-04 669 0.924E-02 0.268E-02
DAV: 17 -0.901313159732E+02 -0.90306E-03 -0.68699E-05 720 0.632E-02 0.252E-02
DAV: 18 -0.901318019497E+02 -0.48598E-03 -0.15235E-04 815 0.942E-02 0.153E-02
DAV: 19 -0.901318230356E+02 -0.21086E-04 -0.35203E-05 704 0.319E-02 0.148E-02
DAV: 20 -0.901318640997E+02 -0.41064E-04 -0.92556E-06 439 0.237E-02 0.109E-02
DAV: 21 -0.901319175491E+02 -0.53449E-04 -0.64765E-06 464 0.235E-02 0.117E-02
DAV: 22 -0.901318984857E+02 0.19063E-04 -0.80465E-06 409 0.459E-02 0.143E-02
DAV: 23 -0.901319539656E+02 -0.55480E-04 -0.12155E-04 773 0.119E-01 0.306E-02
DAV: 24 -0.901319581848E+02 -0.42191E-05 -0.77659E-05 728 0.538E-02
1 F= -.90131958E+02 E0= -.90140435E+02 d E =0.254316E-01