iterations/neb0_image01_iter217_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 0.365650935719E+03 0.36565E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.324727017934E+01 -0.36240E+03 -0.34938E+03 839 0.196E+02
DAV: 3 -0.954262795975E+02 -0.98674E+02 -0.98329E+02 645 0.116E+02
DAV: 4 -0.100228918362E+03 -0.48026E+01 -0.47909E+01 704 0.297E+01
DAV: 5 -0.100324744637E+03 -0.95826E-01 -0.95776E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916939125885E+02 0.86308E+01 -0.30944E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908881005671E+02 0.80581E+00 -0.18306E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905121349017E+02 0.37597E+00 -0.55260E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904294391613E+02 0.82696E-01 -0.13353E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904248556564E+02 0.45835E-02 -0.46839E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904288600631E+02 -0.40044E-02 -0.74064E-03 608 0.545E-01 0.124E-01
DAV: 12 -0.904323682765E+02 -0.35082E-02 -0.68137E-03 629 0.465E-01 0.134E-01
DAV: 13 -0.904347734223E+02 -0.24051E-02 -0.17045E-03 861 0.317E-01 0.743E-02
DAV: 14 -0.904379010013E+02 -0.31276E-02 -0.14135E-03 642 0.186E-01 0.664E-02
DAV: 15 -0.904396047851E+02 -0.17038E-02 -0.31635E-04 680 0.111E-01 0.535E-02
DAV: 16 -0.904410097949E+02 -0.14050E-02 -0.10428E-03 669 0.198E-01 0.378E-02
DAV: 17 -0.904417950377E+02 -0.78524E-03 -0.13627E-04 664 0.794E-02 0.328E-02
DAV: 18 -0.904421110799E+02 -0.31604E-03 -0.10121E-04 672 0.520E-02 0.150E-02
DAV: 19 -0.904422702851E+02 -0.15921E-03 -0.65918E-05 645 0.433E-02 0.857E-03
DAV: 20 -0.904423033736E+02 -0.33089E-04 -0.50917E-06 512 0.163E-02 0.938E-03
DAV: 21 -0.904423421647E+02 -0.38791E-04 -0.74234E-06 404 0.157E-02 0.612E-03
DAV: 22 -0.904423502902E+02 -0.81254E-05 -0.60647E-06 480 0.161E-02
1 F= -.90442350E+02 E0= -.90447828E+02 d E =0.164332E-01