iterations/neb0_image03_iter70_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 0.367845798717E+03 0.36785E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.308254630708E+01 -0.36476E+03 -0.35207E+03 853 0.195E+02
DAV: 3 -0.955658300019E+02 -0.98648E+02 -0.98328E+02 664 0.116E+02
DAV: 4 -0.100115894834E+03 -0.45501E+01 -0.45406E+01 720 0.287E+01
DAV: 5 -0.100204312282E+03 -0.88417E-01 -0.88381E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.915983824873E+02 0.86059E+01 -0.30702E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907510268499E+02 0.84736E+00 -0.18507E+00 712 0.640E+00 0.482E+00
DAV: 8 -0.903482207281E+02 0.40281E+00 -0.56340E-01 696 0.431E+00 0.166E+00
DAV: 9 -0.902523692098E+02 0.95852E-01 -0.14232E-01 696 0.173E+00 0.439E-01
DAV: 10 -0.902444534595E+02 0.79158E-02 -0.48382E-02 720 0.124E+00 0.334E-01
DAV: 11 -0.902477966168E+02 -0.33432E-02 -0.70928E-03 613 0.517E-01 0.130E-01
DAV: 12 -0.902509925867E+02 -0.31960E-02 -0.66593E-03 615 0.389E-01 0.132E-01
DAV: 13 -0.902543854565E+02 -0.33929E-02 -0.19982E-03 856 0.379E-01 0.814E-02
DAV: 14 -0.902576678985E+02 -0.32824E-02 -0.12026E-03 620 0.169E-01 0.613E-02
DAV: 15 -0.902600887861E+02 -0.24209E-02 -0.38611E-04 736 0.105E-01 0.364E-02
DAV: 16 -0.902618063770E+02 -0.17176E-02 -0.55350E-04 666 0.131E-01 0.314E-02
DAV: 17 -0.902626556815E+02 -0.84930E-03 -0.11364E-04 677 0.680E-02 0.213E-02
DAV: 18 -0.902629956962E+02 -0.34001E-03 -0.12959E-04 648 0.673E-02 0.974E-03
DAV: 19 -0.902630953842E+02 -0.99688E-04 -0.99882E-06 496 0.196E-02 0.774E-03
DAV: 20 -0.902631568931E+02 -0.61509E-04 -0.12613E-05 448 0.221E-02 0.365E-03
DAV: 21 -0.902632119855E+02 -0.55092E-04 -0.10612E-05 450 0.175E-02 0.454E-03
DAV: 22 -0.902632255990E+02 -0.13613E-04 -0.28184E-06 464 0.111E-02 0.388E-03
DAV: 23 -0.902632284346E+02 -0.28356E-05 -0.22244E-06 464 0.105E-02
1 F= -.90263228E+02 E0= -.90270362E+02 d E =0.214006E-01