iterations/neb0_image09_iter275_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 0.374090123209E+03 0.37409E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.327262225904E+01 -0.37082E+03 -0.35815E+03 869 0.196E+02
DAV: 3 -0.968694849257E+02 -0.10014E+03 -0.99818E+02 672 0.117E+02
DAV: 4 -0.101297708904E+03 -0.44282E+01 -0.44178E+01 720 0.283E+01
DAV: 5 -0.101383598312E+03 -0.85889E-01 -0.85853E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926879258799E+02 0.86957E+01 -0.31025E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918124301762E+02 0.87550E+00 -0.17184E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914353272809E+02 0.37710E+00 -0.54702E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913547983552E+02 0.80529E-01 -0.13137E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913465373375E+02 0.82610E-02 -0.45545E-02 744 0.110E+00 0.305E-01
DAV: 11 -0.913511952406E+02 -0.46579E-02 -0.13448E-02 608 0.603E-01 0.143E-01
DAV: 12 -0.913542426623E+02 -0.30474E-02 -0.29447E-03 623 0.230E-01 0.117E-01
DAV: 13 -0.913579699335E+02 -0.37273E-02 -0.23229E-03 653 0.261E-01 0.486E-02
DAV: 14 -0.913611904606E+02 -0.32205E-02 -0.57410E-04 664 0.127E-01 0.271E-02
DAV: 15 -0.913626748149E+02 -0.14844E-02 -0.11368E-04 664 0.553E-02 0.234E-02
DAV: 16 -0.913638986422E+02 -0.12238E-02 -0.25350E-04 645 0.775E-02 0.185E-02
DAV: 17 -0.913640443846E+02 -0.14574E-03 -0.20732E-05 552 0.380E-02 0.133E-02
DAV: 18 -0.913642852554E+02 -0.24087E-03 -0.79966E-05 615 0.479E-02 0.116E-02
DAV: 19 -0.913643461309E+02 -0.60876E-04 -0.11335E-05 488 0.281E-02 0.555E-03
DAV: 20 -0.913643781439E+02 -0.32013E-04 -0.16235E-05 432 0.228E-02 0.303E-03
DAV: 21 -0.913643989022E+02 -0.20758E-04 -0.43183E-06 448 0.958E-03 0.367E-03
DAV: 22 -0.913644031516E+02 -0.42494E-05 -0.86360E-07 482 0.648E-03
1 F= -.91364403E+02 E0= -.91369068E+02 d E =0.139950E-01