./iterations/neb0_image05_iter136_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 0.368919136595E+03 0.36892E+03 -0.14341E+04 640 0.799E+02
DAV: 2 0.380914804672E+01 -0.36511E+03 -0.35221E+03 863 0.193E+02
DAV: 3 -0.943055624426E+02 -0.98115E+02 -0.97713E+02 632 0.116E+02
DAV: 4 -0.991501314394E+02 -0.48446E+01 -0.48307E+01 728 0.301E+01
DAV: 5 -0.992518056074E+02 -0.10167E+00 -0.10163E+00 728 0.387E+00 0.221E+01
DAV: 6 -0.907368695564E+02 0.85149E+01 -0.29663E+01 693 0.296E+01 0.115E+01
DAV: 7 -0.898769336298E+02 0.85994E+00 -0.17517E+00 720 0.651E+00 0.474E+00
DAV: 8 -0.894926456901E+02 0.38429E+00 -0.56780E-01 720 0.427E+00 0.168E+00
DAV: 9 -0.894027986668E+02 0.89847E-01 -0.14640E-01 709 0.167E+00 0.445E-01
DAV: 10 -0.893937265572E+02 0.90721E-02 -0.27808E-02 781 0.906E-01 0.281E-01
DAV: 11 -0.893958478594E+02 -0.21213E-02 -0.68031E-03 634 0.505E-01 0.157E-01
DAV: 12 -0.893979314395E+02 -0.20836E-02 -0.20043E-03 693 0.282E-01 0.106E-01
DAV: 13 -0.894013376436E+02 -0.34062E-02 -0.19452E-03 616 0.234E-01 0.848E-02
DAV: 14 -0.894046753017E+02 -0.33377E-02 -0.60976E-04 685 0.170E-01 0.585E-02
DAV: 15 -0.894077396429E+02 -0.30643E-02 -0.10767E-03 644 0.164E-01 0.419E-02
DAV: 16 -0.894092909827E+02 -0.15513E-02 -0.26729E-04 805 0.123E-01 0.218E-02
DAV: 17 -0.894107329630E+02 -0.14420E-02 -0.20663E-04 644 0.682E-02 0.185E-02
DAV: 18 -0.894111413244E+02 -0.40836E-03 -0.55096E-05 693 0.388E-02 0.980E-03
DAV: 19 -0.894114199292E+02 -0.27860E-03 -0.44953E-05 622 0.396E-02 0.603E-03
DAV: 20 -0.894115236738E+02 -0.10374E-03 -0.77608E-06 477 0.151E-02 0.515E-03
DAV: 21 -0.894115704433E+02 -0.46770E-04 -0.63024E-06 428 0.128E-02 0.257E-03
DAV: 22 -0.894115970061E+02 -0.26563E-04 -0.67111E-06 425 0.133E-02 0.289E-03
DAV: 23 -0.894115993798E+02 -0.23738E-05 -0.14692E-06 520 0.670E-03
1 F= -.89411599E+02 E0= -.89419456E+02 d E =0.235701E-01