iterations/neb0_image06_iter267_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 0.373492305844E+03 0.37349E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.614248063521E+01 -0.36735E+03 -0.35464E+03 845 0.194E+02
DAV: 3 -0.948806801930E+02 -0.10102E+03 -0.10062E+03 688 0.117E+02
DAV: 4 -0.995472698339E+02 -0.46666E+01 -0.46517E+01 736 0.281E+01
DAV: 5 -0.996429167390E+02 -0.95647E-01 -0.95603E-01 720 0.356E+00 0.223E+01
DAV: 6 -0.911669688899E+02 0.84759E+01 -0.30013E+01 696 0.304E+01 0.117E+01
DAV: 7 -0.903714487385E+02 0.79552E+00 -0.17439E+00 704 0.638E+00 0.480E+00
DAV: 8 -0.900015369030E+02 0.36991E+00 -0.54318E-01 704 0.412E+00 0.170E+00
DAV: 9 -0.899097557011E+02 0.91781E-01 -0.13079E-01 712 0.165E+00 0.433E-01
DAV: 10 -0.899001291775E+02 0.96265E-02 -0.35048E-02 773 0.921E-01 0.292E-01
DAV: 11 -0.899044185833E+02 -0.42894E-02 -0.13647E-02 608 0.681E-01 0.198E-01
DAV: 12 -0.899050935201E+02 -0.67494E-03 -0.38469E-03 768 0.394E-01 0.102E-01
DAV: 13 -0.899098882423E+02 -0.47947E-02 -0.36915E-03 603 0.360E-01 0.930E-02
DAV: 14 -0.899112145450E+02 -0.13263E-02 -0.49067E-04 816 0.176E-01 0.564E-02
DAV: 15 -0.899145328446E+02 -0.33183E-02 -0.11927E-03 627 0.204E-01 0.398E-02
DAV: 16 -0.899163650324E+02 -0.18322E-02 -0.22220E-04 752 0.104E-01 0.212E-02
DAV: 17 -0.899173351817E+02 -0.97015E-03 -0.20956E-04 666 0.760E-02 0.163E-02
DAV: 18 -0.899178375925E+02 -0.50241E-03 -0.55343E-05 583 0.416E-02 0.101E-02
DAV: 19 -0.899179459961E+02 -0.10840E-03 -0.19576E-05 512 0.266E-02 0.484E-03
DAV: 20 -0.899180214956E+02 -0.75500E-04 -0.10282E-05 406 0.171E-02 0.158E-03
DAV: 21 -0.899180527740E+02 -0.31278E-04 -0.44397E-06 466 0.819E-03 0.249E-03
DAV: 22 -0.899180608372E+02 -0.80632E-05 -0.12198E-06 442 0.738E-03
1 F= -.89918061E+02 E0= -.89922509E+02 d E =0.133437E-01