iterations/neb0_image06_iter282_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 0.374059776165E+03 0.37406E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.587081499209E+01 -0.36819E+03 -0.35570E+03 853 0.194E+02
DAV: 3 -0.944028721859E+02 -0.10027E+03 -0.99854E+02 672 0.117E+02
DAV: 4 -0.990724025512E+02 -0.46695E+01 -0.46504E+01 712 0.287E+01
DAV: 5 -0.991676456855E+02 -0.95243E-01 -0.95188E-01 720 0.367E+00 0.222E+01
DAV: 6 -0.907983134235E+02 0.83693E+01 -0.29716E+01 680 0.302E+01 0.115E+01
DAV: 7 -0.899779717630E+02 0.82034E+00 -0.16421E+00 728 0.632E+00 0.481E+00
DAV: 8 -0.895916736705E+02 0.38630E+00 -0.58921E-01 704 0.424E+00 0.158E+00
DAV: 9 -0.895058896346E+02 0.85784E-01 -0.12179E-01 712 0.161E+00 0.436E-01
DAV: 10 -0.894958402229E+02 0.10049E-01 -0.40730E-02 712 0.992E-01 0.307E-01
DAV: 11 -0.894999022420E+02 -0.40620E-02 -0.12368E-02 608 0.626E-01 0.176E-01
DAV: 12 -0.895010052462E+02 -0.11030E-02 -0.30455E-03 664 0.341E-01 0.975E-02
DAV: 13 -0.895057849191E+02 -0.47797E-02 -0.32300E-03 617 0.308E-01 0.860E-02
DAV: 14 -0.895075605821E+02 -0.17757E-02 -0.57168E-04 824 0.200E-01 0.404E-02
DAV: 15 -0.895107668734E+02 -0.32063E-02 -0.76820E-04 633 0.143E-01 0.332E-02
DAV: 16 -0.895123869787E+02 -0.16201E-02 -0.13475E-04 685 0.638E-02 0.204E-02
DAV: 17 -0.895136354545E+02 -0.12485E-02 -0.27444E-04 679 0.904E-02 0.180E-02
DAV: 18 -0.895139308523E+02 -0.29540E-03 -0.48643E-05 672 0.489E-02 0.121E-02
DAV: 19 -0.895140569627E+02 -0.12611E-03 -0.24863E-05 536 0.279E-02 0.644E-03
DAV: 20 -0.895141245105E+02 -0.67548E-04 -0.12024E-05 456 0.219E-02 0.302E-03
DAV: 21 -0.895141713430E+02 -0.46833E-04 -0.74192E-06 434 0.159E-02 0.256E-03
DAV: 22 -0.895141852896E+02 -0.13947E-04 -0.30180E-06 466 0.883E-03 0.237E-03
DAV: 23 -0.895141895931E+02 -0.43036E-05 -0.11983E-06 461 0.715E-03
1 F= -.89514190E+02 E0= -.89519636E+02 d E =0.163401E-01