./iterations/neb0_image02_iter88_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 0.367928070807E+03 0.36793E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.468327688448E+01 -0.36324E+03 -0.34850E+03 834 0.195E+02
DAV: 3 -0.954801484633E+02 -0.10016E+03 -0.99829E+02 672 0.116E+02
DAV: 4 -0.100159702611E+03 -0.46796E+01 -0.46687E+01 712 0.287E+01
DAV: 5 -0.100252156319E+03 -0.92454E-01 -0.92412E-01 720 0.360E+00 0.222E+01
DAV: 6 -0.916590686727E+02 0.85931E+01 -0.30859E+01 696 0.298E+01 0.117E+01
DAV: 7 -0.908332035481E+02 0.82587E+00 -0.18226E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904457998753E+02 0.38740E+00 -0.56284E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.903563534656E+02 0.89446E-01 -0.13907E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903499439758E+02 0.64095E-02 -0.47186E-02 704 0.128E+00 0.323E-01
DAV: 11 -0.903535342632E+02 -0.35903E-02 -0.71642E-03 616 0.483E-01 0.151E-01
DAV: 12 -0.903568731520E+02 -0.33389E-02 -0.71797E-03 610 0.474E-01 0.129E-01
DAV: 13 -0.903597485349E+02 -0.28754E-02 -0.14022E-03 968 0.319E-01 0.809E-02
DAV: 14 -0.903627871730E+02 -0.30386E-02 -0.13613E-03 637 0.174E-01 0.549E-02
DAV: 15 -0.903652055553E+02 -0.24184E-02 -0.41693E-04 677 0.116E-01 0.415E-02
DAV: 16 -0.903665476586E+02 -0.13421E-02 -0.55315E-04 656 0.130E-01 0.304E-02
DAV: 17 -0.903674346752E+02 -0.88702E-03 -0.16329E-04 821 0.842E-02 0.179E-02
DAV: 18 -0.903675855811E+02 -0.15091E-03 -0.33881E-05 704 0.307E-02 0.104E-02
DAV: 19 -0.903678047103E+02 -0.21913E-03 -0.39707E-05 561 0.310E-02 0.436E-03
DAV: 20 -0.903678353585E+02 -0.30648E-04 -0.28783E-06 488 0.975E-03 0.443E-03
DAV: 21 -0.903678839654E+02 -0.48607E-04 -0.64951E-06 403 0.145E-02 0.251E-03
DAV: 22 -0.903678953621E+02 -0.11397E-04 -0.36256E-06 477 0.906E-03 0.238E-03
DAV: 23 -0.903678980294E+02 -0.26672E-05 -0.82930E-07 480 0.608E-03
1 F= -.90367898E+02 E0= -.90373687E+02 d E =0.173661E-01