iterations/neb0_image05_iter241_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 0.365091200448E+03 0.36509E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.330324973605E+01 -0.36179E+03 -0.34756E+03 850 0.195E+02
DAV: 3 -0.952699773295E+02 -0.98573E+02 -0.98227E+02 672 0.116E+02
DAV: 4 -0.998639901478E+02 -0.45940E+01 -0.45814E+01 688 0.285E+01
DAV: 5 -0.999549840641E+02 -0.90994E-01 -0.90938E-01 736 0.360E+00 0.219E+01
DAV: 6 -0.914951400214E+02 0.84598E+01 -0.30940E+01 704 0.299E+01 0.115E+01
DAV: 7 -0.907225910546E+02 0.77255E+00 -0.17568E+00 728 0.629E+00 0.480E+00
DAV: 8 -0.903535672744E+02 0.36902E+00 -0.53195E-01 728 0.425E+00 0.169E+00
DAV: 9 -0.902655009052E+02 0.88066E-01 -0.12984E-01 728 0.166E+00 0.430E-01
DAV: 10 -0.902576203161E+02 0.78806E-02 -0.41611E-02 736 0.114E+00 0.308E-01
DAV: 11 -0.902611892040E+02 -0.35689E-02 -0.69263E-03 608 0.580E-01 0.127E-01
DAV: 12 -0.902632928475E+02 -0.21036E-02 -0.42150E-03 626 0.351E-01 0.109E-01
DAV: 13 -0.902662710330E+02 -0.29782E-02 -0.10076E-03 716 0.216E-01 0.824E-02
DAV: 14 -0.902702158255E+02 -0.39448E-02 -0.18123E-03 647 0.214E-01 0.712E-02
DAV: 15 -0.902717114131E+02 -0.14956E-02 -0.28281E-04 856 0.119E-01 0.445E-02
DAV: 16 -0.902738823301E+02 -0.21709E-02 -0.80462E-04 661 0.166E-01 0.397E-02
DAV: 17 -0.902745241486E+02 -0.64182E-03 -0.93186E-05 704 0.680E-02 0.313E-02
DAV: 18 -0.902749927961E+02 -0.46865E-03 -0.21865E-04 642 0.927E-02 0.117E-02
DAV: 19 -0.902752349535E+02 -0.24216E-03 -0.36866E-05 672 0.329E-02 0.132E-02
DAV: 20 -0.902753391603E+02 -0.10421E-03 -0.16760E-05 530 0.230E-02 0.876E-03
DAV: 21 -0.902753602526E+02 -0.21092E-04 -0.11190E-05 480 0.228E-02 0.280E-03
DAV: 22 -0.902753773082E+02 -0.17056E-04 -0.47193E-06 436 0.123E-02 0.201E-03
DAV: 23 -0.902753892697E+02 -0.11961E-04 -0.29506E-06 428 0.756E-03 0.263E-03
DAV: 24 -0.902753899389E+02 -0.66924E-06 -0.51968E-07 536 0.604E-03
1 F= -.90275390E+02 E0= -.90284051E+02 d E =0.259826E-01