./iterations/neb0_image01_iter160_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 0.366087343442E+03 0.36609E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.322031515911E+01 -0.36287E+03 -0.34998E+03 839 0.196E+02
DAV: 3 -0.956113279544E+02 -0.98832E+02 -0.98485E+02 666 0.116E+02
DAV: 4 -0.100240066799E+03 -0.46287E+01 -0.46174E+01 696 0.287E+01
DAV: 5 -0.100332658637E+03 -0.92592E-01 -0.92543E-01 728 0.362E+00 0.223E+01
DAV: 6 -0.916891704753E+02 0.86435E+01 -0.30973E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908789444931E+02 0.81023E+00 -0.18275E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905031333591E+02 0.37581E+00 -0.55449E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904218479182E+02 0.81285E-01 -0.13003E-01 712 0.169E+00 0.424E-01
DAV: 10 -0.904173808460E+02 0.44671E-02 -0.47856E-02 712 0.124E+00 0.327E-01
DAV: 11 -0.904216595925E+02 -0.42787E-02 -0.89581E-03 608 0.638E-01 0.115E-01
DAV: 12 -0.904247151928E+02 -0.30556E-02 -0.60474E-03 629 0.409E-01 0.129E-01
DAV: 13 -0.904273191770E+02 -0.26040E-02 -0.14676E-03 853 0.296E-01 0.792E-02
DAV: 14 -0.904306483332E+02 -0.33292E-02 -0.17089E-03 631 0.217E-01 0.764E-02
DAV: 15 -0.904320480564E+02 -0.13997E-02 -0.28745E-04 824 0.125E-01 0.544E-02
DAV: 16 -0.904334058227E+02 -0.13578E-02 -0.10645E-03 661 0.201E-01 0.385E-02
DAV: 17 -0.904342229063E+02 -0.81708E-03 -0.15762E-04 722 0.833E-02 0.321E-02
DAV: 18 -0.904344468253E+02 -0.22392E-03 -0.33990E-05 632 0.306E-02 0.241E-02
DAV: 19 -0.904347518372E+02 -0.30501E-03 -0.11219E-04 638 0.638E-02 0.811E-03
DAV: 20 -0.904347792913E+02 -0.27454E-04 -0.19052E-05 600 0.281E-02 0.745E-03
DAV: 21 -0.904348180002E+02 -0.38709E-04 -0.10722E-05 407 0.198E-02 0.777E-03
DAV: 22 -0.904348491415E+02 -0.31141E-04 -0.51850E-06 468 0.145E-02 0.546E-03
DAV: 23 -0.904348554282E+02 -0.62867E-05 -0.66715E-06 488 0.153E-02
1 F= -.90434855E+02 E0= -.90441343E+02 d E =0.194622E-01