iterations/neb0_image02_iter105_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 0.364939898309E+03 0.36494E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.407606201482E+01 -0.36086E+03 -0.34620E+03 834 0.194E+02
DAV: 3 -0.956037219376E+02 -0.99680E+02 -0.99350E+02 680 0.116E+02
DAV: 4 -0.100189067642E+03 -0.45853E+01 -0.45746E+01 704 0.282E+01
DAV: 5 -0.100278568601E+03 -0.89501E-01 -0.89459E-01 736 0.353E+00 0.222E+01
DAV: 6 -0.916587163734E+02 0.86199E+01 -0.30976E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908405827450E+02 0.81813E+00 -0.18290E+00 704 0.632E+00 0.483E+00
DAV: 8 -0.904556162012E+02 0.38497E+00 -0.55456E-01 688 0.426E+00 0.169E+00
DAV: 9 -0.903656419541E+02 0.89974E-01 -0.13859E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903593628059E+02 0.62791E-02 -0.48343E-02 704 0.128E+00 0.324E-01
DAV: 11 -0.903630881428E+02 -0.37253E-02 -0.74819E-03 608 0.502E-01 0.142E-01
DAV: 12 -0.903664717618E+02 -0.33836E-02 -0.71868E-03 629 0.458E-01 0.132E-01
DAV: 13 -0.903691493553E+02 -0.26776E-02 -0.15947E-03 936 0.336E-01 0.801E-02
DAV: 14 -0.903722370462E+02 -0.30877E-02 -0.13858E-03 634 0.179E-01 0.596E-02
DAV: 15 -0.903744605469E+02 -0.22235E-02 -0.38031E-04 672 0.110E-01 0.445E-02
DAV: 16 -0.903758640170E+02 -0.14035E-02 -0.70435E-04 653 0.151E-01 0.338E-02
DAV: 17 -0.903767497817E+02 -0.88576E-03 -0.15736E-04 746 0.843E-02 0.218E-02
DAV: 18 -0.903768985836E+02 -0.14880E-03 -0.46976E-05 712 0.359E-02 0.107E-02
DAV: 19 -0.903771202730E+02 -0.22169E-03 -0.35514E-05 556 0.294E-02 0.374E-03
DAV: 20 -0.903771702802E+02 -0.50007E-04 -0.47192E-06 480 0.129E-02 0.450E-03
DAV: 21 -0.903772156307E+02 -0.45351E-04 -0.75351E-06 423 0.172E-02 0.486E-03
DAV: 22 -0.903772348287E+02 -0.19198E-04 -0.41501E-06 477 0.124E-02 0.323E-03
DAV: 23 -0.903772363698E+02 -0.15411E-05 -0.35737E-06 544 0.106E-02
1 F= -.90377236E+02 E0= -.90382776E+02 d E =0.166202E-01