iterations/neb0_image09_iter144_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 0.374366248278E+03 0.37437E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.239203355106E+01 -0.37197E+03 -0.35977E+03 877 0.196E+02
DAV: 3 -0.966003971415E+02 -0.98992E+02 -0.98653E+02 645 0.117E+02
DAV: 4 -0.101212993741E+03 -0.46126E+01 -0.46024E+01 712 0.292E+01
DAV: 5 -0.101304839351E+03 -0.91846E-01 -0.91805E-01 736 0.373E+00 0.227E+01
DAV: 6 -0.926608395593E+02 0.86440E+01 -0.30854E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.918003929292E+02 0.86045E+00 -0.17130E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.914251676687E+02 0.37523E+00 -0.54831E-01 712 0.397E+00 0.162E+00
DAV: 9 -0.913436259568E+02 0.81542E-01 -0.13028E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913350285313E+02 0.85974E-02 -0.43350E-02 760 0.108E+00 0.297E-01
DAV: 11 -0.913393469410E+02 -0.43184E-02 -0.11274E-02 616 0.551E-01 0.133E-01
DAV: 12 -0.913425425246E+02 -0.31956E-02 -0.29109E-03 618 0.255E-01 0.102E-01
DAV: 13 -0.913461204180E+02 -0.35779E-02 -0.97229E-04 664 0.171E-01 0.510E-02
DAV: 14 -0.913497140505E+02 -0.35936E-02 -0.99645E-04 656 0.178E-01 0.418E-02
DAV: 15 -0.913507716606E+02 -0.10576E-02 -0.15885E-04 768 0.898E-02 0.365E-02
DAV: 16 -0.913521903757E+02 -0.14187E-02 -0.34130E-04 636 0.970E-02 0.170E-02
DAV: 17 -0.913526728728E+02 -0.48250E-03 -0.78897E-05 752 0.606E-02 0.128E-02
DAV: 18 -0.913529321719E+02 -0.25930E-03 -0.39561E-05 565 0.303E-02 0.778E-03
DAV: 19 -0.913530081648E+02 -0.75993E-04 -0.94135E-06 496 0.153E-02 0.407E-03
DAV: 20 -0.913530349737E+02 -0.26809E-04 -0.52302E-06 437 0.145E-02 0.139E-03
DAV: 21 -0.913530579806E+02 -0.23007E-04 -0.33926E-06 423 0.810E-03 0.197E-03
DAV: 22 -0.913530623948E+02 -0.44142E-05 -0.73290E-07 480 0.350E-03
1 F= -.91353062E+02 E0= -.91357888E+02 d E =0.144770E-01