iterations/neb0_image03_iter144_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 0.365834092708E+03 0.36583E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.215411258357E+01 -0.36368E+03 -0.35150E+03 853 0.195E+02
DAV: 3 -0.961076258047E+02 -0.98262E+02 -0.97942E+02 696 0.116E+02
DAV: 4 -0.100233693667E+03 -0.41261E+01 -0.41163E+01 712 0.269E+01
DAV: 5 -0.100311932736E+03 -0.78239E-01 -0.78213E-01 736 0.335E+00 0.223E+01
DAV: 6 -0.917005075016E+02 0.86114E+01 -0.30804E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908505937382E+02 0.84991E+00 -0.18187E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904484071196E+02 0.40219E+00 -0.56844E-01 704 0.433E+00 0.166E+00
DAV: 9 -0.903525716672E+02 0.95835E-01 -0.13260E-01 704 0.178E+00 0.439E-01
DAV: 10 -0.903444820803E+02 0.80896E-02 -0.46369E-02 720 0.112E+00 0.336E-01
DAV: 11 -0.903485235650E+02 -0.40415E-02 -0.85502E-03 608 0.633E-01 0.123E-01
DAV: 12 -0.903505192487E+02 -0.19957E-02 -0.39688E-03 637 0.315E-01 0.111E-01
DAV: 13 -0.903554099157E+02 -0.48907E-02 -0.18239E-03 656 0.273E-01 0.789E-02
DAV: 14 -0.903586728527E+02 -0.32629E-02 -0.84104E-04 663 0.133E-01 0.472E-02
DAV: 15 -0.903611022568E+02 -0.24294E-02 -0.42140E-04 666 0.130E-01 0.203E-02
DAV: 16 -0.903626189431E+02 -0.15167E-02 -0.16237E-04 666 0.589E-02 0.207E-02
DAV: 17 -0.903635026578E+02 -0.88371E-03 -0.13207E-04 674 0.718E-02 0.121E-02
DAV: 18 -0.903637515210E+02 -0.24886E-03 -0.48780E-05 696 0.371E-02 0.137E-02
DAV: 19 -0.903638448263E+02 -0.93305E-04 -0.24402E-05 533 0.390E-02 0.550E-03
DAV: 20 -0.903639199045E+02 -0.75078E-04 -0.12294E-05 445 0.202E-02 0.260E-03
DAV: 21 -0.903639714102E+02 -0.51506E-04 -0.72027E-06 450 0.113E-02 0.203E-03
DAV: 22 -0.903639858837E+02 -0.14474E-04 -0.18805E-06 496 0.685E-03 0.123E-03
DAV: 23 -0.903639928920E+02 -0.70083E-05 -0.12619E-06 414 0.530E-03
1 F= -.90363993E+02 E0= -.90372632E+02 d E =0.259183E-01