iterations/neb0_image02_iter30_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 0.367906169146E+03 0.36791E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.426288235259E+01 -0.36364E+03 -0.34892E+03 839 0.195E+02
DAV: 3 -0.956157399771E+02 -0.99879E+02 -0.99539E+02 680 0.116E+02
DAV: 4 -0.100128781090E+03 -0.45130E+01 -0.45023E+01 712 0.282E+01
DAV: 5 -0.100214553539E+03 -0.85772E-01 -0.85731E-01 728 0.352E+00 0.222E+01
DAV: 6 -0.915732981016E+02 0.86413E+01 -0.30855E+01 701 0.299E+01 0.117E+01
DAV: 7 -0.907423821906E+02 0.83092E+00 -0.18265E+00 712 0.633E+00 0.482E+00
DAV: 8 -0.903529784682E+02 0.38940E+00 -0.56390E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.902610523855E+02 0.91926E-01 -0.14457E-01 696 0.169E+00 0.441E-01
DAV: 10 -0.902541519016E+02 0.69005E-02 -0.42098E-02 704 0.123E+00 0.311E-01
DAV: 11 -0.902576773376E+02 -0.35254E-02 -0.64142E-03 616 0.454E-01 0.155E-01
DAV: 12 -0.902610157709E+02 -0.33384E-02 -0.67848E-03 616 0.478E-01 0.126E-01
DAV: 13 -0.902639160362E+02 -0.29003E-02 -0.11441E-03 821 0.299E-01 0.734E-02
DAV: 14 -0.902671781667E+02 -0.32621E-02 -0.15824E-03 640 0.186E-01 0.569E-02
DAV: 15 -0.902695379183E+02 -0.23598E-02 -0.38109E-04 709 0.133E-01 0.348E-02
DAV: 16 -0.902709225973E+02 -0.13847E-02 -0.53830E-04 672 0.125E-01 0.346E-02
DAV: 17 -0.902717324035E+02 -0.80981E-03 -0.11199E-04 709 0.672E-02 0.208E-02
DAV: 18 -0.902719885934E+02 -0.25619E-03 -0.63086E-05 680 0.423E-02 0.730E-03
DAV: 19 -0.902722092224E+02 -0.22063E-03 -0.26462E-05 514 0.246E-02 0.533E-03
DAV: 20 -0.902722861794E+02 -0.76957E-04 -0.79703E-06 456 0.120E-02 0.620E-03
DAV: 21 -0.902723283437E+02 -0.42164E-04 -0.84542E-06 428 0.175E-02 0.217E-03
DAV: 22 -0.902723325741E+02 -0.42304E-05 -0.46527E-06 528 0.115E-02
1 F= -.90272333E+02 E0= -.90279033E+02 d E =0.201008E-01