iterations/neb0_image03_iter143_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 0.365728036580E+03 0.36573E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.215195217496E+01 -0.36358E+03 -0.35137E+03 853 0.195E+02
DAV: 3 -0.960972213083E+02 -0.98249E+02 -0.97929E+02 696 0.116E+02
DAV: 4 -0.100225256401E+03 -0.41280E+01 -0.41182E+01 712 0.270E+01
DAV: 5 -0.100303684198E+03 -0.78428E-01 -0.78401E-01 736 0.336E+00 0.222E+01
DAV: 6 -0.917002785228E+02 0.86034E+01 -0.30775E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908525575176E+02 0.84772E+00 -0.18227E+00 712 0.638E+00 0.483E+00
DAV: 8 -0.904500541156E+02 0.40250E+00 -0.57185E-01 704 0.435E+00 0.166E+00
DAV: 9 -0.903542213522E+02 0.95833E-01 -0.12962E-01 704 0.181E+00 0.444E-01
DAV: 10 -0.903460875101E+02 0.81338E-02 -0.41394E-02 728 0.104E+00 0.333E-01
DAV: 11 -0.903493146956E+02 -0.32272E-02 -0.73611E-03 632 0.603E-01 0.127E-01
DAV: 12 -0.903514019761E+02 -0.20873E-02 -0.35140E-03 637 0.328E-01 0.111E-01
DAV: 13 -0.903565709501E+02 -0.51690E-02 -0.23511E-03 661 0.273E-01 0.827E-02
DAV: 14 -0.903601721520E+02 -0.36012E-02 -0.92089E-04 663 0.144E-01 0.435E-02
DAV: 15 -0.903624205116E+02 -0.22484E-02 -0.37658E-04 720 0.118E-01 0.204E-02
DAV: 16 -0.903639563946E+02 -0.15359E-02 -0.12790E-04 663 0.506E-02 0.167E-02
DAV: 17 -0.903648819678E+02 -0.92557E-03 -0.12306E-04 666 0.558E-02 0.937E-03
DAV: 18 -0.903651693108E+02 -0.28734E-03 -0.33371E-05 602 0.282E-02 0.880E-03
DAV: 19 -0.903652394938E+02 -0.70183E-04 -0.14858E-05 504 0.299E-02 0.470E-03
DAV: 20 -0.903652943662E+02 -0.54872E-04 -0.10075E-05 429 0.190E-02 0.377E-03
DAV: 21 -0.903653296889E+02 -0.35323E-04 -0.70072E-06 455 0.149E-02 0.274E-03
DAV: 22 -0.903653354450E+02 -0.57560E-05 -0.17712E-06 544 0.701E-03
1 F= -.90365335E+02 E0= -.90374002E+02 d E =0.259994E-01