./iterations/neb0_image06_iter201_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 0.370564461828E+03 0.37056E+03 -0.14346E+04 640 0.799E+02
DAV: 2 0.434115714620E+01 -0.36622E+03 -0.35422E+03 858 0.193E+02
DAV: 3 -0.956005187089E+02 -0.99942E+02 -0.99610E+02 664 0.116E+02
DAV: 4 -0.100376316717E+03 -0.47758E+01 -0.47608E+01 728 0.289E+01
DAV: 5 -0.100474854971E+03 -0.98538E-01 -0.98478E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.919192527088E+02 0.85556E+01 -0.30648E+01 693 0.303E+01 0.118E+01
DAV: 7 -0.911075802999E+02 0.81167E+00 -0.17509E+00 704 0.627E+00 0.480E+00
DAV: 8 -0.907346337129E+02 0.37295E+00 -0.53066E-01 704 0.406E+00 0.167E+00
DAV: 9 -0.906433097018E+02 0.91324E-01 -0.12991E-01 704 0.157E+00 0.420E-01
DAV: 10 -0.906330645915E+02 0.10245E-01 -0.39318E-02 752 0.983E-01 0.288E-01
DAV: 11 -0.906374794229E+02 -0.44148E-02 -0.10007E-02 599 0.516E-01 0.146E-01
DAV: 12 -0.906401538820E+02 -0.26745E-02 -0.21806E-03 634 0.249E-01 0.866E-02
DAV: 13 -0.906442980769E+02 -0.41442E-02 -0.15867E-03 642 0.188E-01 0.598E-02
DAV: 14 -0.906474457121E+02 -0.31476E-02 -0.82738E-04 752 0.212E-01 0.363E-02
DAV: 15 -0.906494291387E+02 -0.19834E-02 -0.34222E-04 618 0.972E-02 0.387E-02
DAV: 16 -0.906506069940E+02 -0.11779E-02 -0.24302E-04 733 0.942E-02 0.147E-02
DAV: 17 -0.906513528957E+02 -0.74590E-03 -0.11743E-04 650 0.530E-02 0.145E-02
DAV: 18 -0.906516209840E+02 -0.26809E-03 -0.21806E-05 528 0.209E-02 0.877E-03
DAV: 19 -0.906517413799E+02 -0.12040E-03 -0.27486E-05 564 0.273E-02 0.337E-03
DAV: 20 -0.906517589582E+02 -0.17578E-04 -0.27806E-06 544 0.101E-02 0.274E-03
DAV: 21 -0.906517842320E+02 -0.25274E-04 -0.56642E-06 395 0.126E-02 0.219E-03
DAV: 22 -0.906517857643E+02 -0.15323E-05 -0.90823E-07 501 0.678E-03
1 F= -.90651786E+02 E0= -.90656656E+02 d E =0.146110E-01