iterations/neb0_image01_iter47_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 0.366985517764E+03 0.36699E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.349532277725E+01 -0.36349E+03 -0.35008E+03 839 0.195E+02
DAV: 3 -0.956467473041E+02 -0.99142E+02 -0.98799E+02 672 0.116E+02
DAV: 4 -0.100220141125E+03 -0.45734E+01 -0.45638E+01 685 0.287E+01
DAV: 5 -0.100311354542E+03 -0.91213E-01 -0.91160E-01 736 0.362E+00 0.223E+01
DAV: 6 -0.916772765154E+02 0.86341E+01 -0.31118E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908585000648E+02 0.81878E+00 -0.18368E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904761784485E+02 0.38232E+00 -0.55791E-01 704 0.427E+00 0.168E+00
DAV: 9 -0.903897967827E+02 0.86382E-01 -0.13821E-01 696 0.166E+00 0.430E-01
DAV: 10 -0.903839872177E+02 0.58096E-02 -0.45639E-02 744 0.126E+00 0.317E-01
DAV: 11 -0.903877386170E+02 -0.37514E-02 -0.68304E-03 616 0.479E-01 0.145E-01
DAV: 12 -0.903911574309E+02 -0.34188E-02 -0.66907E-03 616 0.472E-01 0.123E-01
DAV: 13 -0.903939789805E+02 -0.28215E-02 -0.11764E-03 792 0.291E-01 0.781E-02
DAV: 14 -0.903969813663E+02 -0.30024E-02 -0.16866E-03 645 0.198E-01 0.620E-02
DAV: 15 -0.903991313111E+02 -0.21499E-02 -0.44024E-04 752 0.144E-01 0.416E-02
DAV: 16 -0.904003013769E+02 -0.11701E-02 -0.58321E-04 669 0.135E-01 0.348E-02
DAV: 17 -0.904012451696E+02 -0.94379E-03 -0.17012E-04 730 0.861E-02 0.226E-02
DAV: 18 -0.904014210003E+02 -0.17583E-03 -0.49305E-05 704 0.358E-02 0.141E-02
DAV: 19 -0.904016894451E+02 -0.26844E-03 -0.51854E-05 627 0.365E-02 0.364E-03
DAV: 20 -0.904017430642E+02 -0.53619E-04 -0.44745E-06 480 0.116E-02 0.404E-03
DAV: 21 -0.904017882450E+02 -0.45181E-04 -0.49915E-06 420 0.108E-02 0.316E-03
DAV: 22 -0.904018076461E+02 -0.19401E-04 -0.33451E-06 477 0.805E-03 0.202E-03
DAV: 23 -0.904018102872E+02 -0.26411E-05 -0.17446E-06 504 0.781E-03
1 F= -.90401810E+02 E0= -.90406907E+02 d E =0.152911E-01