iterations/neb0_image04_iter123_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 0.370024674596E+03 0.37002E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.381561361629E+01 -0.36621E+03 -0.35432E+03 858 0.195E+02
DAV: 3 -0.955295242470E+02 -0.99345E+02 -0.99032E+02 685 0.116E+02
DAV: 4 -0.998852513153E+02 -0.43557E+01 -0.43446E+01 704 0.277E+01
DAV: 5 -0.999695377738E+02 -0.84286E-01 -0.84248E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.914467291187E+02 0.85228E+01 -0.30078E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905919028767E+02 0.85483E+00 -0.17451E+00 704 0.626E+00 0.479E+00
DAV: 8 -0.901932659480E+02 0.39864E+00 -0.55574E-01 712 0.421E+00 0.163E+00
DAV: 9 -0.900988991611E+02 0.94367E-01 -0.13229E-01 720 0.177E+00 0.440E-01
DAV: 10 -0.900893720064E+02 0.95272E-02 -0.61019E-02 712 0.146E+00 0.359E-01
DAV: 11 -0.900934309946E+02 -0.40590E-02 -0.15888E-02 632 0.753E-01 0.145E-01
DAV: 12 -0.900951997851E+02 -0.17688E-02 -0.55214E-03 626 0.340E-01 0.147E-01
DAV: 13 -0.900981686532E+02 -0.29689E-02 -0.24587E-03 829 0.388E-01 0.776E-02
DAV: 14 -0.901022910734E+02 -0.41224E-02 -0.15294E-03 639 0.207E-01 0.683E-02
DAV: 15 -0.901045177323E+02 -0.22267E-02 -0.32100E-04 752 0.108E-01 0.475E-02
DAV: 16 -0.901062911671E+02 -0.17734E-02 -0.78140E-04 666 0.160E-01 0.336E-02
DAV: 17 -0.901071439777E+02 -0.85281E-03 -0.16758E-04 808 0.913E-02 0.160E-02
DAV: 18 -0.901075906989E+02 -0.44672E-03 -0.81471E-05 650 0.389E-02 0.976E-03
DAV: 19 -0.901077331255E+02 -0.14243E-03 -0.17543E-05 485 0.221E-02 0.299E-03
DAV: 20 -0.901078099565E+02 -0.76831E-04 -0.10555E-05 426 0.133E-02 0.328E-03
DAV: 21 -0.901078322897E+02 -0.22333E-04 -0.36356E-06 466 0.742E-03 0.192E-03
DAV: 22 -0.901078380393E+02 -0.57496E-05 -0.16061E-06 464 0.678E-03
1 F= -.90107838E+02 E0= -.90112041E+02 d E =0.126081E-01