iterations/neb0_image07_iter73_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 0.378459425418E+03 0.37846E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.440159442983E+01 -0.37406E+03 -0.36085E+03 869 0.196E+02
DAV: 3 -0.964107291852E+02 -0.10081E+03 -0.10049E+03 672 0.117E+02
DAV: 4 -0.100899371179E+03 -0.44886E+01 -0.44781E+01 704 0.285E+01
DAV: 5 -0.100987584210E+03 -0.88213E-01 -0.88176E-01 728 0.359E+00 0.228E+01
DAV: 6 -0.923456316905E+02 0.86420E+01 -0.30695E+01 698 0.303E+01 0.119E+01
DAV: 7 -0.914668051507E+02 0.87883E+00 -0.16651E+00 736 0.613E+00 0.482E+00
DAV: 8 -0.910829271284E+02 0.38388E+00 -0.55420E-01 696 0.404E+00 0.163E+00
DAV: 9 -0.909983878073E+02 0.84539E-01 -0.13391E-01 712 0.157E+00 0.426E-01
DAV: 10 -0.909888072251E+02 0.95806E-02 -0.49480E-02 712 0.115E+00 0.315E-01
DAV: 11 -0.909932944953E+02 -0.44873E-02 -0.13050E-02 616 0.610E-01 0.140E-01
DAV: 12 -0.909964334701E+02 -0.31390E-02 -0.38968E-03 624 0.289E-01 0.155E-01
DAV: 13 -0.910001056742E+02 -0.36722E-02 -0.33438E-03 725 0.356E-01 0.595E-02
DAV: 14 -0.910024804896E+02 -0.23748E-02 -0.58896E-04 664 0.120E-01 0.598E-02
DAV: 15 -0.910053061813E+02 -0.28257E-02 -0.36132E-04 639 0.892E-02 0.368E-02
DAV: 16 -0.910065413715E+02 -0.12352E-02 -0.49905E-04 669 0.112E-01 0.328E-02
DAV: 17 -0.910070865500E+02 -0.54518E-03 -0.13018E-04 656 0.664E-02 0.114E-02
DAV: 18 -0.910072770573E+02 -0.19051E-03 -0.30553E-05 597 0.253E-02 0.595E-03
DAV: 19 -0.910073319547E+02 -0.54897E-04 -0.53258E-06 480 0.139E-02 0.187E-03
DAV: 20 -0.910073778443E+02 -0.45890E-04 -0.53208E-06 406 0.965E-03 0.222E-03
DAV: 21 -0.910073896114E+02 -0.11767E-04 -0.12858E-06 485 0.543E-03 0.163E-03
DAV: 22 -0.910073949015E+02 -0.52900E-05 -0.16673E-06 402 0.783E-03
1 F= -.91007395E+02 E0= -.91012513E+02 d E =0.153530E-01