./iterations/neb0_image05_iter45_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 0.373425962734E+03 0.37343E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.440287232896E+01 -0.36902E+03 -0.35717E+03 877 0.195E+02
DAV: 3 -0.936715854601E+02 -0.98074E+02 -0.97717E+02 637 0.116E+02
DAV: 4 -0.984059995429E+02 -0.47344E+01 -0.47201E+01 728 0.299E+01
DAV: 5 -0.985062327115E+02 -0.10023E+00 -0.10019E+00 712 0.389E+00 0.220E+01
DAV: 6 -0.902087361058E+02 0.82975E+01 -0.29074E+01 679 0.294E+01 0.113E+01
DAV: 7 -0.893621088247E+02 0.84663E+00 -0.17135E+00 712 0.658E+00 0.467E+00
DAV: 8 -0.889838328406E+02 0.37828E+00 -0.59005E-01 704 0.425E+00 0.162E+00
DAV: 9 -0.888956518210E+02 0.88181E-01 -0.12985E-01 720 0.161E+00 0.442E-01
DAV: 10 -0.888852140564E+02 0.10438E-01 -0.30019E-02 720 0.917E-01 0.296E-01
DAV: 11 -0.888875969610E+02 -0.23829E-02 -0.10607E-02 640 0.652E-01 0.140E-01
DAV: 12 -0.888894653633E+02 -0.18684E-02 -0.22829E-03 696 0.282E-01 0.101E-01
DAV: 13 -0.888946683456E+02 -0.52030E-02 -0.33816E-03 622 0.338E-01 0.961E-02
DAV: 14 -0.888966672056E+02 -0.19989E-02 -0.67826E-04 768 0.198E-01 0.468E-02
DAV: 15 -0.888996430430E+02 -0.29758E-02 -0.14333E-03 639 0.220E-01 0.564E-02
DAV: 16 -0.889008932333E+02 -0.12502E-02 -0.41879E-04 965 0.157E-01 0.219E-02
DAV: 17 -0.889019741575E+02 -0.10809E-02 -0.22145E-04 655 0.838E-02 0.185E-02
DAV: 18 -0.889025892464E+02 -0.61509E-03 -0.90319E-05 666 0.440E-02 0.144E-02
DAV: 19 -0.889027697849E+02 -0.18054E-03 -0.42247E-05 677 0.420E-02 0.536E-03
DAV: 20 -0.889028857069E+02 -0.11592E-03 -0.11131E-05 447 0.200E-02 0.393E-03
DAV: 21 -0.889029430083E+02 -0.57301E-04 -0.75731E-06 455 0.104E-02 0.320E-03
DAV: 22 -0.889029609167E+02 -0.17908E-04 -0.32326E-06 480 0.106E-02 0.969E-04
DAV: 23 -0.889029652929E+02 -0.43762E-05 -0.20942E-06 456 0.776E-03
1 F= -.88902965E+02 E0= -.88906926E+02 d E =0.118830E-01