./iterations/neb0_image07_iter82_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 0.377580362582E+03 0.37758E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.360425860191E+01 -0.37398E+03 -0.36182E+03 877 0.196E+02
DAV: 3 -0.964632651301E+02 -0.10007E+03 -0.99743E+02 672 0.117E+02
DAV: 4 -0.100895333905E+03 -0.44321E+01 -0.44216E+01 696 0.283E+01
DAV: 5 -0.100983202093E+03 -0.87868E-01 -0.87831E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.923586404667E+02 0.86246E+01 -0.30701E+01 709 0.303E+01 0.119E+01
DAV: 7 -0.914869928086E+02 0.87165E+00 -0.16708E+00 720 0.614E+00 0.482E+00
DAV: 8 -0.911039407595E+02 0.38305E+00 -0.56265E-01 704 0.406E+00 0.163E+00
DAV: 9 -0.910194020393E+02 0.84539E-01 -0.13321E-01 712 0.156E+00 0.427E-01
DAV: 10 -0.910097772052E+02 0.96248E-02 -0.47806E-02 712 0.112E+00 0.309E-01
DAV: 11 -0.910142903726E+02 -0.45132E-02 -0.12005E-02 608 0.576E-01 0.137E-01
DAV: 12 -0.910175615001E+02 -0.32711E-02 -0.38715E-03 624 0.291E-01 0.151E-01
DAV: 13 -0.910211363678E+02 -0.35749E-02 -0.27705E-03 728 0.332E-01 0.551E-02
DAV: 14 -0.910236940571E+02 -0.25577E-02 -0.66947E-04 656 0.123E-01 0.596E-02
DAV: 15 -0.910262642741E+02 -0.25702E-02 -0.28399E-04 650 0.826E-02 0.369E-02
DAV: 16 -0.910275414735E+02 -0.12772E-02 -0.47369E-04 669 0.109E-01 0.302E-02
DAV: 17 -0.910280858299E+02 -0.54436E-03 -0.12795E-04 664 0.714E-02 0.106E-02
DAV: 18 -0.910282472022E+02 -0.16137E-03 -0.29873E-05 600 0.271E-02 0.730E-03
DAV: 19 -0.910283157712E+02 -0.68569E-04 -0.98337E-06 456 0.213E-02 0.230E-03
DAV: 20 -0.910283638199E+02 -0.48049E-04 -0.91414E-06 409 0.152E-02 0.412E-03
DAV: 21 -0.910283727725E+02 -0.89526E-05 -0.12028E-06 520 0.705E-03
1 F= -.91028373E+02 E0= -.91033391E+02 d E =0.150548E-01