iterations/neb0_image04_iter111_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 0.370585882890E+03 0.37059E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.395937637343E+01 -0.36663E+03 -0.35461E+03 858 0.195E+02
DAV: 3 -0.954717160726E+02 -0.99431E+02 -0.99115E+02 680 0.116E+02
DAV: 4 -0.998836577221E+02 -0.44119E+01 -0.44011E+01 704 0.281E+01
DAV: 5 -0.999686242752E+02 -0.84967E-01 -0.84929E-01 720 0.354E+00 0.222E+01
DAV: 6 -0.914333740608E+02 0.85353E+01 -0.30007E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905738637034E+02 0.85951E+00 -0.17569E+00 712 0.628E+00 0.480E+00
DAV: 8 -0.901746733671E+02 0.39919E+00 -0.55953E-01 720 0.422E+00 0.165E+00
DAV: 9 -0.900795219432E+02 0.95151E-01 -0.13330E-01 712 0.179E+00 0.445E-01
DAV: 10 -0.900694680506E+02 0.10054E-01 -0.59333E-02 709 0.143E+00 0.357E-01
DAV: 11 -0.900735130468E+02 -0.40450E-02 -0.16032E-02 616 0.760E-01 0.151E-01
DAV: 12 -0.900748424756E+02 -0.13294E-02 -0.52649E-03 628 0.345E-01 0.147E-01
DAV: 13 -0.900780910349E+02 -0.32486E-02 -0.33522E-03 837 0.441E-01 0.797E-02
DAV: 14 -0.900821623460E+02 -0.40713E-02 -0.15037E-03 655 0.200E-01 0.716E-02
DAV: 15 -0.900841085874E+02 -0.19462E-02 -0.27277E-04 760 0.113E-01 0.413E-02
DAV: 16 -0.900860660929E+02 -0.19575E-02 -0.72766E-04 666 0.154E-01 0.336E-02
DAV: 17 -0.900870557448E+02 -0.98965E-03 -0.17410E-04 808 0.896E-02 0.160E-02
DAV: 18 -0.900874940572E+02 -0.43831E-03 -0.74003E-05 596 0.374E-02 0.963E-03
DAV: 19 -0.900876330575E+02 -0.13900E-03 -0.17149E-05 480 0.212E-02 0.274E-03
DAV: 20 -0.900877067900E+02 -0.73733E-04 -0.98589E-06 433 0.123E-02 0.410E-03
DAV: 21 -0.900877309496E+02 -0.24160E-04 -0.30147E-06 471 0.740E-03 0.178E-03
DAV: 22 -0.900877389288E+02 -0.79792E-05 -0.27673E-06 423 0.780E-03
1 F= -.90087739E+02 E0= -.90091836E+02 d E =0.122927E-01