iterations/neb0_image09_iter98_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 0.374344983149E+03 0.37434E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.246118572809E+01 -0.37188E+03 -0.35953E+03 877 0.196E+02
DAV: 3 -0.966716495307E+02 -0.99133E+02 -0.98795E+02 656 0.117E+02
DAV: 4 -0.101210084093E+03 -0.45384E+01 -0.45290E+01 696 0.289E+01
DAV: 5 -0.101300100310E+03 -0.90016E-01 -0.89977E-01 736 0.368E+00 0.226E+01
DAV: 6 -0.926640695128E+02 0.86360E+01 -0.30845E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918011577654E+02 0.86291E+00 -0.17057E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914244356616E+02 0.37672E+00 -0.54742E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913420879647E+02 0.82348E-01 -0.13034E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913331099170E+02 0.89780E-02 -0.45118E-02 760 0.111E+00 0.302E-01
DAV: 11 -0.913376548452E+02 -0.45449E-02 -0.12983E-02 616 0.590E-01 0.147E-01
DAV: 12 -0.913405631195E+02 -0.29083E-02 -0.29334E-03 620 0.245E-01 0.109E-01
DAV: 13 -0.913443104269E+02 -0.37473E-02 -0.13982E-03 672 0.204E-01 0.449E-02
DAV: 14 -0.913477656877E+02 -0.34553E-02 -0.69824E-04 661 0.150E-01 0.350E-02
DAV: 15 -0.913490466565E+02 -0.12810E-02 -0.13224E-04 720 0.743E-02 0.343E-02
DAV: 16 -0.913504795628E+02 -0.14329E-02 -0.34962E-04 644 0.955E-02 0.182E-02
DAV: 17 -0.913508599572E+02 -0.38039E-03 -0.56475E-05 688 0.545E-02 0.125E-02
DAV: 18 -0.913511181150E+02 -0.25816E-03 -0.48444E-05 573 0.329E-02 0.114E-02
DAV: 19 -0.913511886709E+02 -0.70556E-04 -0.10764E-05 488 0.191E-02 0.523E-03
DAV: 20 -0.913512198133E+02 -0.31142E-04 -0.87346E-06 448 0.187E-02 0.179E-03
DAV: 21 -0.913512414407E+02 -0.21627E-04 -0.43248E-06 429 0.102E-02 0.287E-03
DAV: 22 -0.913512461415E+02 -0.47008E-05 -0.77669E-07 488 0.432E-03
1 F= -.91351246E+02 E0= -.91355953E+02 d E =0.141203E-01