./iterations/neb0_image06_iter5_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 0.362563560318E+03 0.36256E+03 -0.14185E+04 624 0.799E+02
DAV: 2 0.727540505011E+01 -0.35529E+03 -0.34148E+03 861 0.192E+02
DAV: 3 -0.910255800452E+02 -0.98301E+02 -0.97690E+02 704 0.114E+02
DAV: 4 -0.957516350552E+02 -0.47261E+01 -0.47032E+01 712 0.275E+01
DAV: 5 -0.958551608291E+02 -0.10353E+00 -0.10347E+00 728 0.360E+00 0.220E+01
DAV: 6 -0.872808469637E+02 0.85743E+01 -0.32869E+01 672 0.319E+01 0.116E+01
DAV: 7 -0.865354177094E+02 0.74543E+00 -0.21552E+00 720 0.790E+00 0.499E+00
DAV: 8 -0.861375562811E+02 0.39786E+00 -0.65829E-01 712 0.455E+00 0.179E+00
DAV: 9 -0.860551760654E+02 0.82380E-01 -0.20459E-01 720 0.218E+00 0.774E-01
DAV: 10 -0.860457718291E+02 0.94042E-02 -0.28325E-02 749 0.106E+00 0.452E-01
DAV: 11 -0.860396528258E+02 0.61190E-02 -0.24983E-02 696 0.771E-01 0.317E-01
DAV: 12 -0.860411701789E+02 -0.15174E-02 -0.86852E-03 602 0.602E-01 0.150E-01
DAV: 13 -0.860445612369E+02 -0.33911E-02 -0.45764E-03 592 0.351E-01 0.136E-01
DAV: 14 -0.860485885859E+02 -0.40273E-02 -0.22836E-03 706 0.284E-01 0.573E-02
DAV: 15 -0.860508917315E+02 -0.23031E-02 -0.49645E-04 674 0.112E-01 0.477E-02
DAV: 16 -0.860530375352E+02 -0.21458E-02 -0.37431E-04 722 0.109E-01 0.206E-02
DAV: 17 -0.860543983457E+02 -0.13608E-02 -0.10981E-04 682 0.527E-02 0.130E-02
DAV: 18 -0.860551652387E+02 -0.76689E-03 -0.52605E-05 621 0.351E-02 0.693E-03
DAV: 19 -0.860555651971E+02 -0.39996E-03 -0.49804E-05 629 0.275E-02 0.625E-03
DAV: 20 -0.860556406776E+02 -0.75481E-04 -0.50392E-06 504 0.177E-02 0.307E-03
DAV: 21 -0.860556970488E+02 -0.56371E-04 -0.16125E-05 406 0.205E-02 0.523E-03
DAV: 22 -0.860557017188E+02 -0.46700E-05 -0.22958E-06 528 0.139E-02
1 F= -.86055702E+02 E0= -.86063928E+02 d E =0.246797E-01