iterations/neb0_image02_iter24_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 0.367290488268E+03 0.36729E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.424604071780E+01 -0.36304E+03 -0.34861E+03 839 0.195E+02
DAV: 3 -0.955382155362E+02 -0.99784E+02 -0.99447E+02 680 0.116E+02
DAV: 4 -0.100053425975E+03 -0.45152E+01 -0.45051E+01 712 0.282E+01
DAV: 5 -0.100139508999E+03 -0.86083E-01 -0.86039E-01 736 0.352E+00 0.222E+01
DAV: 6 -0.914817562278E+02 0.86578E+01 -0.30978E+01 712 0.300E+01 0.117E+01
DAV: 7 -0.906698378562E+02 0.81192E+00 -0.18486E+00 712 0.632E+00 0.482E+00
DAV: 8 -0.902850736683E+02 0.38476E+00 -0.55411E-01 688 0.430E+00 0.172E+00
DAV: 9 -0.901921200730E+02 0.92954E-01 -0.14602E-01 696 0.171E+00 0.439E-01
DAV: 10 -0.901851210334E+02 0.69990E-02 -0.41688E-02 720 0.121E+00 0.308E-01
DAV: 11 -0.901888117912E+02 -0.36908E-02 -0.64590E-03 608 0.451E-01 0.148E-01
DAV: 12 -0.901921199355E+02 -0.33081E-02 -0.60824E-03 632 0.459E-01 0.121E-01
DAV: 13 -0.901948701845E+02 -0.27502E-02 -0.10059E-03 776 0.281E-01 0.723E-02
DAV: 14 -0.901982258929E+02 -0.33557E-02 -0.17614E-03 640 0.202E-01 0.599E-02
DAV: 15 -0.902004367794E+02 -0.22109E-02 -0.45636E-04 832 0.158E-01 0.329E-02
DAV: 16 -0.902016389400E+02 -0.12022E-02 -0.41110E-04 672 0.109E-01 0.324E-02
DAV: 17 -0.902025621787E+02 -0.92324E-03 -0.11003E-04 653 0.563E-02 0.260E-02
DAV: 18 -0.902027884393E+02 -0.22626E-03 -0.81388E-05 688 0.549E-02 0.816E-03
DAV: 19 -0.902030526656E+02 -0.26423E-03 -0.31459E-05 567 0.261E-02 0.446E-03
DAV: 20 -0.902031132649E+02 -0.60599E-04 -0.91057E-06 480 0.192E-02 0.732E-03
DAV: 21 -0.902031525674E+02 -0.39302E-04 -0.55846E-06 429 0.138E-02 0.560E-03
DAV: 22 -0.902031650647E+02 -0.12497E-04 -0.39000E-06 477 0.114E-02 0.329E-03
DAV: 23 -0.902031683266E+02 -0.32619E-05 -0.23041E-06 456 0.982E-03
1 F= -.90203168E+02 E0= -.90209622E+02 d E =0.193613E-01