iterations/neb0_image02_iter169_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 0.363801742097E+03 0.36380E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.184932378547E+01 -0.36195E+03 -0.34997E+03 853 0.195E+02
DAV: 3 -0.956617093245E+02 -0.97511E+02 -0.97174E+02 656 0.115E+02
DAV: 4 -0.100230556002E+03 -0.45688E+01 -0.45581E+01 720 0.287E+01
DAV: 5 -0.100321518918E+03 -0.90963E-01 -0.90933E-01 760 0.362E+00 0.222E+01
DAV: 6 -0.916788130006E+02 0.86427E+01 -0.31013E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908620151541E+02 0.81680E+00 -0.18420E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904805099720E+02 0.38151E+00 -0.55864E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.903937306876E+02 0.86779E-01 -0.13699E-01 712 0.167E+00 0.431E-01
DAV: 10 -0.903881321384E+02 0.55985E-02 -0.49843E-02 704 0.129E+00 0.331E-01
DAV: 11 -0.903915962106E+02 -0.34641E-02 -0.75107E-03 616 0.561E-01 0.132E-01
DAV: 12 -0.903947931775E+02 -0.31970E-02 -0.75244E-03 640 0.455E-01 0.138E-01
DAV: 13 -0.903973192741E+02 -0.25261E-02 -0.19869E-03 888 0.354E-01 0.824E-02
DAV: 14 -0.904004632171E+02 -0.31439E-02 -0.14043E-03 642 0.175E-01 0.688E-02
DAV: 15 -0.904024184648E+02 -0.19552E-02 -0.35381E-04 664 0.107E-01 0.523E-02
DAV: 16 -0.904039321885E+02 -0.15137E-02 -0.10248E-03 672 0.187E-01 0.399E-02
DAV: 17 -0.904046567641E+02 -0.72458E-03 -0.15843E-04 760 0.873E-02 0.253E-02
DAV: 18 -0.904049683211E+02 -0.31156E-03 -0.86256E-05 680 0.440E-02 0.908E-03
DAV: 19 -0.904051309833E+02 -0.16266E-03 -0.34856E-05 597 0.295E-02 0.628E-03
DAV: 20 -0.904051625265E+02 -0.31543E-04 -0.34797E-06 520 0.135E-02 0.530E-03
DAV: 21 -0.904052192140E+02 -0.56687E-04 -0.11410E-05 406 0.169E-02 0.349E-03
DAV: 22 -0.904052238743E+02 -0.46603E-05 -0.36154E-06 504 0.117E-02
1 F= -.90405224E+02 E0= -.90411876E+02 d E =0.199561E-01