iterations/neb0_image03_iter9_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 0.363283929975E+03 0.36328E+03 -0.14247E+04 624 0.799E+02
DAV: 2 0.484248398690E+01 -0.35844E+03 -0.34558E+03 845 0.194E+02
DAV: 3 -0.939235694525E+02 -0.98766E+02 -0.98374E+02 664 0.116E+02
DAV: 4 -0.986739441912E+02 -0.47504E+01 -0.47366E+01 720 0.288E+01
DAV: 5 -0.987756272050E+02 -0.10168E+00 -0.10164E+00 720 0.371E+00 0.216E+01
DAV: 6 -0.901987530981E+02 0.85769E+01 -0.31318E+01 712 0.299E+01 0.112E+01
DAV: 7 -0.894220696269E+02 0.77668E+00 -0.17312E+00 728 0.650E+00 0.476E+00
DAV: 8 -0.890462852885E+02 0.37578E+00 -0.60762E-01 712 0.442E+00 0.171E+00
DAV: 9 -0.889587810830E+02 0.87504E-01 -0.13438E-01 720 0.185E+00 0.455E-01
DAV: 10 -0.889517482526E+02 0.70328E-02 -0.28373E-02 741 0.834E-01 0.330E-01
DAV: 11 -0.889526245025E+02 -0.87625E-03 -0.68534E-03 624 0.481E-01 0.171E-01
DAV: 12 -0.889560384068E+02 -0.34139E-02 -0.44541E-03 629 0.343E-01 0.143E-01
DAV: 13 -0.889585557698E+02 -0.25174E-02 -0.27956E-03 864 0.373E-01 0.771E-02
DAV: 14 -0.889619084478E+02 -0.33527E-02 -0.17415E-03 630 0.218E-01 0.751E-02
DAV: 15 -0.889639180946E+02 -0.20096E-02 -0.57049E-04 824 0.171E-01 0.281E-02
DAV: 16 -0.889660076203E+02 -0.20895E-02 -0.27482E-04 650 0.836E-02 0.245E-02
DAV: 17 -0.889669677650E+02 -0.96014E-03 -0.78370E-05 613 0.487E-02 0.133E-02
DAV: 18 -0.889676171743E+02 -0.64941E-03 -0.94640E-05 668 0.488E-02 0.105E-02
DAV: 19 -0.889678594359E+02 -0.24226E-03 -0.43701E-05 677 0.531E-02 0.777E-03
DAV: 20 -0.889679511755E+02 -0.91740E-04 -0.10876E-05 469 0.244E-02 0.404E-03
DAV: 21 -0.889680013531E+02 -0.50178E-04 -0.19291E-05 546 0.238E-02 0.507E-03
DAV: 22 -0.889680278177E+02 -0.26465E-04 -0.34474E-06 436 0.173E-02 0.142E-03
DAV: 23 -0.889680382553E+02 -0.10438E-04 -0.46712E-06 488 0.103E-02 0.217E-03
DAV: 24 -0.889680406585E+02 -0.24032E-05 -0.75973E-07 480 0.414E-03
1 F= -.88968041E+02 E0= -.88977034E+02 d E =0.269786E-01