./iterations/neb0_image02_iter285_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 0.365530739362E+03 0.36553E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.151496761053E+01 -0.36402E+03 -0.35228E+03 861 0.195E+02
DAV: 3 -0.956104099618E+02 -0.97125E+02 -0.96791E+02 640 0.116E+02
DAV: 4 -0.100248994300E+03 -0.46386E+01 -0.46277E+01 712 0.294E+01
DAV: 5 -0.100340919503E+03 -0.91925E-01 -0.91890E-01 720 0.372E+00 0.222E+01
DAV: 6 -0.916681080456E+02 0.86728E+01 -0.30915E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908474191109E+02 0.82069E+00 -0.18224E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904693480414E+02 0.37807E+00 -0.54600E-01 704 0.428E+00 0.170E+00
DAV: 9 -0.903855967308E+02 0.83751E-01 -0.12863E-01 720 0.185E+00 0.431E-01
DAV: 10 -0.903816110865E+02 0.39856E-02 -0.44138E-02 709 0.116E+00 0.331E-01
DAV: 11 -0.903859533648E+02 -0.43423E-02 -0.97174E-03 645 0.762E-01 0.128E-01
DAV: 12 -0.903879901861E+02 -0.20368E-02 -0.57629E-03 637 0.398E-01 0.121E-01
DAV: 13 -0.903911654036E+02 -0.31752E-02 -0.24680E-03 685 0.328E-01 0.837E-02
DAV: 14 -0.903944315538E+02 -0.32662E-02 -0.12445E-03 631 0.172E-01 0.679E-02
DAV: 15 -0.903958372098E+02 -0.14057E-02 -0.30172E-04 752 0.125E-01 0.329E-02
DAV: 16 -0.903976311602E+02 -0.17940E-02 -0.65135E-04 760 0.164E-01 0.395E-02
DAV: 17 -0.903981029966E+02 -0.47184E-03 -0.19947E-04 888 0.109E-01 0.215E-02
DAV: 18 -0.903982460961E+02 -0.14310E-03 -0.49362E-05 712 0.385E-02 0.138E-02
DAV: 19 -0.903985578862E+02 -0.31179E-03 -0.53744E-05 630 0.421E-02 0.653E-03
DAV: 20 -0.903986508885E+02 -0.93002E-04 -0.10308E-05 480 0.175E-02 0.559E-03
DAV: 21 -0.903987010555E+02 -0.50167E-04 -0.65531E-06 442 0.143E-02 0.238E-03
DAV: 22 -0.903987294250E+02 -0.28369E-04 -0.80639E-06 447 0.154E-02 0.356E-03
DAV: 23 -0.903987330450E+02 -0.36201E-05 -0.12281E-06 528 0.819E-03
1 F= -.90398733E+02 E0= -.90406941E+02 d E =0.246237E-01