iterations/neb0_image05_iter233_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 0.367577069403E+03 0.36758E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.351009775432E+01 -0.36407E+03 -0.34929E+03 853 0.195E+02
DAV: 3 -0.954986115751E+02 -0.99009E+02 -0.98662E+02 672 0.116E+02
DAV: 4 -0.100057458779E+03 -0.45588E+01 -0.45472E+01 704 0.285E+01
DAV: 5 -0.100146258538E+03 -0.88800E-01 -0.88761E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.915737771911E+02 0.85725E+01 -0.31066E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.907539110922E+02 0.81987E+00 -0.17465E+00 728 0.627E+00 0.482E+00
DAV: 8 -0.903755439436E+02 0.37837E+00 -0.54991E-01 728 0.427E+00 0.165E+00
DAV: 9 -0.902888173908E+02 0.86727E-01 -0.12915E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.902814921750E+02 0.73252E-02 -0.38707E-02 728 0.107E+00 0.307E-01
DAV: 11 -0.902852588856E+02 -0.37667E-02 -0.61980E-03 608 0.517E-01 0.118E-01
DAV: 12 -0.902873922526E+02 -0.21334E-02 -0.42477E-03 618 0.367E-01 0.122E-01
DAV: 13 -0.902894831161E+02 -0.20909E-02 -0.46212E-04 680 0.181E-01 0.101E-01
DAV: 14 -0.902932082574E+02 -0.37251E-02 -0.37138E-03 623 0.364E-01 0.101E-01
DAV: 15 -0.902950562678E+02 -0.18480E-02 -0.74441E-04 706 0.191E-01 0.644E-02
DAV: 16 -0.902970000826E+02 -0.19438E-02 -0.10938E-03 680 0.176E-01 0.276E-02
DAV: 17 -0.902982246240E+02 -0.12245E-02 -0.17168E-04 672 0.639E-02 0.328E-02
DAV: 18 -0.902988892837E+02 -0.66466E-03 -0.85227E-05 706 0.600E-02 0.189E-02
DAV: 19 -0.902991563451E+02 -0.26706E-03 -0.81943E-05 656 0.478E-02 0.873E-03
DAV: 20 -0.902992342620E+02 -0.77917E-04 -0.10996E-05 490 0.240E-02 0.423E-03
DAV: 21 -0.902993040588E+02 -0.69797E-04 -0.14796E-05 420 0.177E-02 0.646E-03
DAV: 22 -0.902993150845E+02 -0.11026E-04 -0.23282E-06 488 0.993E-03 0.415E-03
DAV: 23 -0.902993191102E+02 -0.40257E-05 -0.65564E-06 437 0.153E-02
1 F= -.90299319E+02 E0= -.90307610E+02 d E =0.248722E-01