./iterations/neb0_image05_iter245_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 0.366943826181E+03 0.36694E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.441013873082E+01 -0.36253E+03 -0.34786E+03 837 0.195E+02
DAV: 3 -0.954955881430E+02 -0.99906E+02 -0.99558E+02 680 0.116E+02
DAV: 4 -0.100070852078E+03 -0.45753E+01 -0.45629E+01 696 0.284E+01
DAV: 5 -0.100159234231E+03 -0.88382E-01 -0.88338E-01 736 0.355E+00 0.221E+01
DAV: 6 -0.915854882937E+02 0.85737E+01 -0.31218E+01 704 0.300E+01 0.116E+01
DAV: 7 -0.907777373912E+02 0.80775E+00 -0.17599E+00 728 0.627E+00 0.482E+00
DAV: 8 -0.904016670164E+02 0.37607E+00 -0.54927E-01 728 0.428E+00 0.166E+00
DAV: 9 -0.903157575387E+02 0.85909E-01 -0.12814E-01 720 0.166E+00 0.430E-01
DAV: 10 -0.903081665161E+02 0.75910E-02 -0.42324E-02 720 0.113E+00 0.321E-01
DAV: 11 -0.903105678982E+02 -0.24014E-02 -0.87048E-03 608 0.757E-01 0.140E-01
DAV: 12 -0.903118196471E+02 -0.12517E-02 -0.71972E-03 682 0.530E-01 0.151E-01
DAV: 13 -0.903131553807E+02 -0.13357E-02 -0.92098E-04 736 0.237E-01 0.987E-02
DAV: 14 -0.903175561025E+02 -0.44007E-02 -0.39741E-03 623 0.383E-01 0.120E-01
DAV: 15 -0.903189224313E+02 -0.13663E-02 -0.67715E-04 898 0.251E-01 0.615E-02
DAV: 16 -0.903212201901E+02 -0.22978E-02 -0.11970E-03 645 0.191E-01 0.382E-02
DAV: 17 -0.903221059021E+02 -0.88571E-03 -0.13557E-04 768 0.744E-02 0.314E-02
DAV: 18 -0.903226878662E+02 -0.58196E-03 -0.12314E-04 672 0.734E-02 0.126E-02
DAV: 19 -0.903233960397E+02 -0.70817E-03 -0.86816E-05 658 0.446E-02 0.948E-03
DAV: 20 -0.903236062759E+02 -0.21024E-03 -0.19937E-05 552 0.215E-02 0.637E-03
DAV: 21 -0.903236995145E+02 -0.93239E-04 -0.18603E-05 466 0.230E-02 0.525E-03
DAV: 22 -0.903237263422E+02 -0.26828E-04 -0.44331E-06 485 0.124E-02 0.374E-03
DAV: 23 -0.903237384651E+02 -0.12123E-04 -0.43607E-06 426 0.122E-02 0.204E-03
DAV: 24 -0.903237412144E+02 -0.27493E-05 -0.12727E-06 488 0.617E-03
1 F= -.90323741E+02 E0= -.90332237E+02 d E =0.254870E-01