iterations/neb0_image07_iter142_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 0.372572524778E+03 0.37257E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.389616966831E+01 -0.36868E+03 -0.35637E+03 869 0.194E+02
DAV: 3 -0.964694579641E+02 -0.10037E+03 -0.10005E+03 688 0.116E+02
DAV: 4 -0.101037899416E+03 -0.45684E+01 -0.45551E+01 704 0.281E+01
DAV: 5 -0.101129319897E+03 -0.91420E-01 -0.91377E-01 736 0.356E+00 0.227E+01
DAV: 6 -0.925307815527E+02 0.85985E+01 -0.30648E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.916774455253E+02 0.85334E+00 -0.16850E+00 720 0.616E+00 0.480E+00
DAV: 8 -0.913036080071E+02 0.37384E+00 -0.54104E-01 720 0.397E+00 0.163E+00
DAV: 9 -0.912217284283E+02 0.81880E-01 -0.12730E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.912127255588E+02 0.90029E-02 -0.42360E-02 725 0.107E+00 0.294E-01
DAV: 11 -0.912174993469E+02 -0.47738E-02 -0.12778E-02 608 0.586E-01 0.154E-01
DAV: 12 -0.912201442746E+02 -0.26449E-02 -0.24347E-03 620 0.236E-01 0.104E-01
DAV: 13 -0.912239570150E+02 -0.38127E-02 -0.16995E-03 634 0.219E-01 0.452E-02
DAV: 14 -0.912267086112E+02 -0.27516E-02 -0.42515E-04 688 0.130E-01 0.266E-02
DAV: 15 -0.912289576145E+02 -0.22490E-02 -0.29005E-04 664 0.826E-02 0.324E-02
DAV: 16 -0.912300042692E+02 -0.10467E-02 -0.17257E-04 688 0.643E-02 0.833E-03
DAV: 17 -0.912306088831E+02 -0.60461E-03 -0.53087E-05 589 0.294E-02 0.101E-02
DAV: 18 -0.912308360860E+02 -0.22720E-03 -0.22036E-05 568 0.203E-02 0.526E-03
DAV: 19 -0.912309030489E+02 -0.66963E-04 -0.10889E-05 448 0.157E-02 0.304E-03
DAV: 20 -0.912309153522E+02 -0.12303E-04 -0.21381E-06 504 0.934E-03 0.201E-03
DAV: 21 -0.912309283458E+02 -0.12994E-04 -0.24093E-06 401 0.765E-03 0.166E-03
DAV: 22 -0.912309305117E+02 -0.21660E-05 -0.55701E-07 469 0.443E-03
1 F= -.91230931E+02 E0= -.91235339E+02 d E =0.132247E-01