iterations/neb0_image06_iter148_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 0.371351815244E+03 0.37135E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.373680409291E+01 -0.36762E+03 -0.35596E+03 874 0.193E+02
DAV: 3 -0.958119085080E+02 -0.99549E+02 -0.99192E+02 685 0.116E+02
DAV: 4 -0.100363624970E+03 -0.45517E+01 -0.45400E+01 704 0.281E+01
DAV: 5 -0.100453697622E+03 -0.90073E-01 -0.90030E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.918864285842E+02 0.85673E+01 -0.30508E+01 704 0.303E+01 0.119E+01
DAV: 7 -0.910575911785E+02 0.82884E+00 -0.17316E+00 712 0.633E+00 0.481E+00
DAV: 8 -0.906820408323E+02 0.37555E+00 -0.55290E-01 720 0.416E+00 0.168E+00
DAV: 9 -0.905938342191E+02 0.88207E-01 -0.12918E-01 712 0.161E+00 0.427E-01
DAV: 10 -0.905842623132E+02 0.95719E-02 -0.34065E-02 720 0.915E-01 0.281E-01
DAV: 11 -0.905884189143E+02 -0.41566E-02 -0.91255E-03 613 0.499E-01 0.148E-01
DAV: 12 -0.905906761302E+02 -0.22572E-02 -0.16931E-03 650 0.243E-01 0.870E-02
DAV: 13 -0.905949057307E+02 -0.42296E-02 -0.19010E-03 606 0.212E-01 0.605E-02
DAV: 14 -0.905974248070E+02 -0.25191E-02 -0.60818E-04 912 0.191E-01 0.332E-02
DAV: 15 -0.905998172618E+02 -0.23925E-02 -0.38904E-04 609 0.970E-02 0.339E-02
DAV: 16 -0.906008595089E+02 -0.10422E-02 -0.15878E-04 720 0.803E-02 0.175E-02
DAV: 17 -0.906019591275E+02 -0.10996E-02 -0.18874E-04 628 0.648E-02 0.162E-02
DAV: 18 -0.906021895945E+02 -0.23047E-03 -0.22446E-05 552 0.300E-02 0.817E-03
DAV: 19 -0.906023418113E+02 -0.15222E-03 -0.36619E-05 614 0.292E-02 0.537E-03
DAV: 20 -0.906023618261E+02 -0.20015E-04 -0.42705E-06 536 0.161E-02 0.209E-03
DAV: 21 -0.906023905615E+02 -0.28735E-04 -0.38655E-06 403 0.939E-03 0.119E-03
DAV: 22 -0.906024013644E+02 -0.10803E-04 -0.13004E-06 442 0.441E-03 0.109E-03
DAV: 23 -0.906024042173E+02 -0.28529E-05 -0.45221E-07 434 0.402E-03
1 F= -.90602404E+02 E0= -.90606433E+02 d E =0.120856E-01