./iterations/neb0_image07_iter45_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.163069740067E+04 0.16307E+04 -0.42279E+04 306 0.696E+02
DAV: 2 0.303345010587E+03 -0.13274E+04 -0.12484E+04 420 0.167E+02
DAV: 3 -0.357895611798E+03 -0.66124E+03 -0.65439E+03 364 0.123E+02
DAV: 4 -0.433157553300E+03 -0.75262E+02 -0.74984E+02 308 0.530E+01
DAV: 5 -0.434838473909E+03 -0.16809E+01 -0.16778E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388988245902E+03 0.45850E+02 -0.14859E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385495381785E+03 0.34929E+01 -0.12485E+01 348 0.780E+00 0.104E+01
DAV: 8 -0.384062935583E+03 0.14324E+01 -0.22471E+00 332 0.377E+00 0.418E+00
DAV: 9 -0.383504610144E+03 0.55833E+00 -0.80645E-01 332 0.206E+00 0.119E+00
DAV: 10 -0.383458775474E+03 0.45835E-01 -0.41546E-01 364 0.996E-01 0.761E-01
DAV: 11 -0.383428899178E+03 0.29876E-01 -0.22730E-02 316 0.453E-01 0.577E-01
DAV: 12 -0.383398508796E+03 0.30390E-01 -0.67485E-02 332 0.654E-01 0.452E-01
DAV: 13 -0.383389106956E+03 0.94018E-02 -0.56678E-02 316 0.507E-01 0.281E-01
DAV: 14 -0.383391338508E+03 -0.22316E-02 -0.16534E-02 324 0.320E-01 0.195E-01
DAV: 15 -0.383395555130E+03 -0.42166E-02 -0.65964E-03 372 0.260E-01 0.190E-01
DAV: 16 -0.383402305549E+03 -0.67504E-02 -0.32688E-03 292 0.202E-01 0.203E-01
DAV: 17 -0.383411652005E+03 -0.93465E-02 -0.56547E-03 316 0.192E-01 0.101E-01
DAV: 18 -0.383420228987E+03 -0.85770E-02 -0.18258E-03 308 0.187E-01 0.213E-01
DAV: 19 -0.383422436393E+03 -0.22074E-02 -0.12104E-03 324 0.982E-02 0.761E-02
DAV: 20 -0.383427491810E+03 -0.50554E-02 -0.51005E-04 300 0.868E-02 0.859E-02
DAV: 21 -0.383428825272E+03 -0.13335E-02 -0.41819E-04 348 0.549E-02 0.832E-02
DAV: 22 -0.383428661752E+03 0.16352E-03 -0.58600E-05 308 0.186E-02 0.846E-02
DAV: 23 -0.383428712296E+03 -0.50544E-04 -0.63495E-06 244 0.879E-03 0.836E-02
DAV: 24 -0.383429490390E+03 -0.77809E-03 -0.44566E-03 388 0.267E-01 0.120E-01
DAV: 25 -0.383430691146E+03 -0.12008E-02 -0.29788E-03 332 0.137E-01 0.153E-01
DAV: 26 -0.383430967488E+03 -0.27634E-03 -0.38936E-04 308 0.659E-02 0.169E-01
DAV: 27 -0.383431085699E+03 -0.11821E-03 -0.63185E-04 364 0.115E-01 0.156E-01
DAV: 28 -0.383431055342E+03 0.30358E-04 -0.54190E-04 324 0.552E-02 0.145E-01
DAV: 29 -0.383431714648E+03 -0.65931E-03 -0.39453E-04 348 0.107E-01 0.137E-01
DAV: 30 -0.383433342857E+03 -0.16282E-02 -0.34348E-03 388 0.327E-01 0.153E-01
DAV: 31 -0.383433729548E+03 -0.38669E-03 -0.78862E-03 372 0.572E-01 0.171E-01
DAV: 32 -0.383434403087E+03 -0.67354E-03 -0.71449E-03 332 0.231E-01 0.179E-01
DAV: 33 -0.383435889460E+03 -0.14864E-02 -0.17527E-02 412 0.284E-01 0.238E-01
DAV: 34 -0.383435015539E+03 0.87392E-03 -0.42218E-03 300 0.116E-01 0.145E-01
DAV: 35 -0.383435360096E+03 -0.34456E-03 -0.27200E-04 324 0.293E-02 0.172E-01
DAV: 36 -0.383435568184E+03 -0.20809E-03 -0.86781E-05 284 0.161E-02 0.192E-01
DAV: 37 -0.383436021850E+03 -0.45367E-03 -0.28326E-03 316 0.876E-02 0.151E-01
DAV: 38 -0.383438638942E+03 -0.26171E-02 -0.39366E-03 348 0.116E-01 0.226E-01
DAV: 39 -0.383437820636E+03 0.81831E-03 -0.31188E-03 324 0.810E-02 0.133E-01
DAV: 40 -0.383438456049E+03 -0.63541E-03 -0.12024E-04 300 0.236E-02 0.119E-01
DAV: 41 -0.383439119755E+03 -0.66371E-03 -0.28870E-04 300 0.384E-02 0.685E-02
DAV: 42 -0.383439495777E+03 -0.37602E-03 -0.77658E-04 316 0.536E-02 0.477E-02
DAV: 43 -0.383439609203E+03 -0.11343E-03 -0.18351E-04 316 0.289E-02 0.425E-02
DAV: 44 -0.383439622777E+03 -0.13574E-04 -0.12937E-05 244 0.980E-03 0.425E-02
DAV: 45 -0.383439589793E+03 0.32984E-04 -0.30811E-04 252 0.375E-02 0.506E-02
DAV: 46 -0.383439686848E+03 -0.97056E-04 -0.44244E-04 332 0.520E-02 0.719E-02
DAV: 47 -0.383439624591E+03 0.62257E-04 -0.14479E-04 316 0.298E-02 0.641E-02
DAV: 48 -0.383439614197E+03 0.10394E-04 -0.54219E-05 292 0.283E-02 0.522E-02
DAV: 49 -0.383439702941E+03 -0.88744E-04 -0.44484E-04 356 0.734E-02 0.644E-02
DAV: 50 -0.383439759881E+03 -0.56940E-04 -0.78610E-04 332 0.107E-01 0.450E-02
DAV: 51 -0.383439754839E+03 0.50418E-05 -0.43624E-04 324 0.427E-02 0.455E-02
DAV: 52 -0.383439744423E+03 0.10415E-04 -0.25626E-04 348 0.532E-02 0.532E-02
DAV: 53 -0.383439860818E+03 -0.11640E-03 -0.55653E-04 332 0.898E-02 0.373E-02
DAV: 54 -0.383440273193E+03 -0.41237E-03 -0.13153E-03 356 0.884E-02 0.459E-02
DAV: 55 -0.383440442153E+03 -0.16896E-03 -0.46959E-04 380 0.785E-02 0.522E-02
DAV: 56 -0.383440332971E+03 0.10918E-03 -0.62618E-04 292 0.574E-02 0.401E-02
DAV: 57 -0.383440375414E+03 -0.42443E-04 -0.73344E-05 332 0.221E-02 0.442E-02
DAV: 58 -0.383440378658E+03 -0.32445E-05 -0.69442E-06 228 0.647E-03
1 F= -.38344038E+03 E0= -.38345869E+03 d E =0.549382E-01