./iterations/neb0_image03_iter83_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 0.367407605113E+03 0.36741E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.287186530145E+01 -0.36454E+03 -0.35201E+03 853 0.195E+02
DAV: 3 -0.956171469870E+02 -0.98489E+02 -0.98170E+02 661 0.116E+02
DAV: 4 -0.100149933452E+03 -0.45328E+01 -0.45232E+01 720 0.287E+01
DAV: 5 -0.100238167892E+03 -0.88234E-01 -0.88199E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916344476953E+02 0.86037E+01 -0.30746E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.907904953263E+02 0.84395E+00 -0.18458E+00 704 0.639E+00 0.483E+00
DAV: 8 -0.903852938910E+02 0.40520E+00 -0.56794E-01 688 0.431E+00 0.165E+00
DAV: 9 -0.902894298376E+02 0.95864E-01 -0.14003E-01 696 0.174E+00 0.435E-01
DAV: 10 -0.902813182849E+02 0.81116E-02 -0.51788E-02 712 0.123E+00 0.340E-01
DAV: 11 -0.902853307248E+02 -0.40124E-02 -0.89343E-03 605 0.588E-01 0.119E-01
DAV: 12 -0.902881248432E+02 -0.27941E-02 -0.54535E-03 631 0.334E-01 0.131E-01
DAV: 13 -0.902916161634E+02 -0.34913E-02 -0.19793E-03 840 0.364E-01 0.803E-02
DAV: 14 -0.902949993390E+02 -0.33832E-02 -0.12070E-03 634 0.166E-01 0.643E-02
DAV: 15 -0.902972090323E+02 -0.22097E-02 -0.33659E-04 712 0.106E-01 0.358E-02
DAV: 16 -0.902991326753E+02 -0.19236E-02 -0.69496E-04 666 0.149E-01 0.381E-02
DAV: 17 -0.902997780791E+02 -0.64540E-03 -0.14903E-04 744 0.769E-02 0.231E-02
DAV: 18 -0.903000782387E+02 -0.30016E-03 -0.10487E-04 648 0.605E-02 0.853E-03
DAV: 19 -0.903002468178E+02 -0.16858E-03 -0.16042E-05 463 0.237E-02 0.648E-03
DAV: 20 -0.903003221836E+02 -0.75366E-04 -0.14957E-05 458 0.212E-02 0.539E-03
DAV: 21 -0.903003695225E+02 -0.47339E-04 -0.84353E-06 432 0.168E-02 0.358E-03
DAV: 22 -0.903003808470E+02 -0.11324E-04 -0.45427E-06 480 0.131E-02 0.274E-03
DAV: 23 -0.903003835666E+02 -0.27197E-05 -0.16981E-06 488 0.774E-03
1 F= -.90300384E+02 E0= -.90307842E+02 d E =0.223753E-01