iterations/neb0_image09_iter36_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 0.374861709525E+03 0.37486E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.258170198444E+01 -0.37228E+03 -0.35981E+03 877 0.196E+02
DAV: 3 -0.967400501738E+02 -0.99322E+02 -0.98992E+02 664 0.117E+02
DAV: 4 -0.101227662184E+03 -0.44876E+01 -0.44783E+01 696 0.285E+01
DAV: 5 -0.101316382968E+03 -0.88721E-01 -0.88681E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926533222076E+02 0.86631E+01 -0.30845E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.917828113588E+02 0.87051E+00 -0.17164E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914072871363E+02 0.37552E+00 -0.54280E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913240968577E+02 0.83190E-01 -0.13141E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913150946954E+02 0.90022E-02 -0.43583E-02 760 0.109E+00 0.299E-01
DAV: 11 -0.913196113985E+02 -0.45167E-02 -0.12880E-02 616 0.591E-01 0.149E-01
DAV: 12 -0.913224329956E+02 -0.28216E-02 -0.25859E-03 623 0.243E-01 0.104E-01
DAV: 13 -0.913262546600E+02 -0.38217E-02 -0.15385E-03 658 0.200E-01 0.470E-02
DAV: 14 -0.913295871132E+02 -0.33325E-02 -0.66192E-04 672 0.169E-01 0.308E-02
DAV: 15 -0.913310846523E+02 -0.14975E-02 -0.18178E-04 672 0.790E-02 0.308E-02
DAV: 16 -0.913322988860E+02 -0.12142E-02 -0.21022E-04 671 0.824E-02 0.138E-02
DAV: 17 -0.913328986276E+02 -0.59974E-03 -0.62240E-05 664 0.431E-02 0.129E-02
DAV: 18 -0.913331523466E+02 -0.25372E-03 -0.42334E-05 589 0.350E-02 0.985E-03
DAV: 19 -0.913332469204E+02 -0.94574E-04 -0.17371E-05 464 0.236E-02 0.536E-03
DAV: 20 -0.913332674886E+02 -0.20568E-04 -0.55868E-06 504 0.136E-02 0.331E-03
DAV: 21 -0.913332877502E+02 -0.20262E-04 -0.75048E-06 412 0.177E-02 0.320E-03
DAV: 22 -0.913332963645E+02 -0.86143E-05 -0.20399E-06 461 0.792E-03
1 F= -.91333296E+02 E0= -.91337972E+02 d E =0.140280E-01