./iterations/neb0_image06_iter53_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 0.375391283422E+03 0.37539E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.472968109094E+01 -0.37066E+03 -0.35742E+03 861 0.195E+02
DAV: 3 -0.955654415249E+02 -0.10030E+03 -0.99967E+02 672 0.117E+02
DAV: 4 -0.999942664413E+02 -0.44288E+01 -0.44180E+01 704 0.283E+01
DAV: 5 -0.100084789442E+03 -0.90523E-01 -0.90488E-01 728 0.359E+00 0.226E+01
DAV: 6 -0.914923061475E+02 0.85925E+01 -0.30685E+01 677 0.305E+01 0.117E+01
DAV: 7 -0.906603192580E+02 0.83199E+00 -0.17024E+00 728 0.624E+00 0.480E+00
DAV: 8 -0.902801960718E+02 0.38012E+00 -0.52707E-01 704 0.407E+00 0.165E+00
DAV: 9 -0.901898957285E+02 0.90300E-01 -0.12484E-01 720 0.163E+00 0.429E-01
DAV: 10 -0.901803541236E+02 0.95416E-02 -0.38350E-02 725 0.973E-01 0.312E-01
DAV: 11 -0.901852092774E+02 -0.48552E-02 -0.16964E-02 674 0.959E-01 0.224E-01
DAV: 12 -0.901853226978E+02 -0.11342E-03 -0.50484E-03 674 0.436E-01 0.151E-01
DAV: 13 -0.901892690755E+02 -0.39464E-02 -0.44243E-03 627 0.404E-01 0.117E-01
DAV: 14 -0.901920015430E+02 -0.27325E-02 -0.15113E-03 680 0.185E-01 0.810E-02
DAV: 15 -0.901947409942E+02 -0.27395E-02 -0.79221E-04 789 0.193E-01 0.301E-02
DAV: 16 -0.901967860172E+02 -0.20450E-02 -0.34620E-04 672 0.957E-02 0.293E-02
DAV: 17 -0.901975822026E+02 -0.79619E-03 -0.51127E-05 648 0.399E-02 0.201E-02
DAV: 18 -0.901982766085E+02 -0.69441E-03 -0.12535E-04 655 0.626E-02 0.973E-03
DAV: 19 -0.901984392194E+02 -0.16261E-03 -0.12828E-05 512 0.292E-02 0.634E-03
DAV: 20 -0.901985307454E+02 -0.91526E-04 -0.17652E-05 490 0.204E-02 0.386E-03
DAV: 21 -0.901985727684E+02 -0.42023E-04 -0.44852E-06 482 0.156E-02 0.257E-03
DAV: 22 -0.901985957354E+02 -0.22967E-04 -0.58817E-06 428 0.129E-02 0.504E-03
DAV: 23 -0.901986040393E+02 -0.83039E-05 -0.18254E-06 444 0.110E-02
1 F= -.90198604E+02 E0= -.90208748E+02 d E =0.304307E-01