iterations/neb0_image04_iter28_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 0.367560227068E+03 0.36756E+03 -0.14294E+04 632 0.799E+02
DAV: 2 0.482657347469E+01 -0.36273E+03 -0.35098E+03 861 0.194E+02
DAV: 3 -0.945716276647E+02 -0.99398E+02 -0.99017E+02 680 0.116E+02
DAV: 4 -0.990687849054E+02 -0.44972E+01 -0.44855E+01 728 0.282E+01
DAV: 5 -0.991569954293E+02 -0.88211E-01 -0.88173E-01 728 0.357E+00 0.220E+01
DAV: 6 -0.906880807873E+02 0.84689E+01 -0.30018E+01 677 0.296E+01 0.114E+01
DAV: 7 -0.898294599686E+02 0.85862E+00 -0.16619E+00 728 0.640E+00 0.479E+00
DAV: 8 -0.894236623932E+02 0.40580E+00 -0.63684E-01 704 0.453E+00 0.161E+00
DAV: 9 -0.893339300074E+02 0.89732E-01 -0.12921E-01 728 0.164E+00 0.451E-01
DAV: 10 -0.893238830280E+02 0.10047E-01 -0.41245E-02 722 0.105E+00 0.324E-01
DAV: 11 -0.893277718597E+02 -0.38888E-02 -0.11332E-02 599 0.632E-01 0.141E-01
DAV: 12 -0.893292793835E+02 -0.15075E-02 -0.28574E-03 672 0.274E-01 0.120E-01
DAV: 13 -0.893343119211E+02 -0.50325E-02 -0.41738E-03 751 0.428E-01 0.912E-02
DAV: 14 -0.893366896991E+02 -0.23778E-02 -0.86844E-04 741 0.189E-01 0.588E-02
DAV: 15 -0.893392589995E+02 -0.25693E-02 -0.13496E-03 678 0.212E-01 0.450E-02
DAV: 16 -0.893405086764E+02 -0.12497E-02 -0.22361E-04 810 0.104E-01 0.233E-02
DAV: 17 -0.893415457069E+02 -0.10370E-02 -0.16995E-04 669 0.739E-02 0.103E-02
DAV: 18 -0.893421243589E+02 -0.57865E-03 -0.70730E-05 685 0.363E-02 0.112E-02
DAV: 19 -0.893422621936E+02 -0.13783E-03 -0.11345E-05 504 0.292E-02 0.480E-03
DAV: 20 -0.893423971653E+02 -0.13497E-03 -0.37544E-05 551 0.292E-02 0.770E-03
DAV: 21 -0.893424131085E+02 -0.15943E-04 -0.27681E-06 509 0.167E-02 0.414E-03
DAV: 22 -0.893424303493E+02 -0.17241E-04 -0.60459E-06 401 0.133E-02 0.140E-03
DAV: 23 -0.893424384102E+02 -0.80609E-05 -0.11348E-06 477 0.550E-03
1 F= -.89342438E+02 E0= -.89347445E+02 d E =0.150202E-01