./iterations/neb0_image02_iter221_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 0.366558608414E+03 0.36656E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.134755897172E+01 -0.36521E+03 -0.35423E+03 869 0.195E+02
DAV: 3 -0.956302061576E+02 -0.96978E+02 -0.96642E+02 640 0.116E+02
DAV: 4 -0.100241062974E+03 -0.46109E+01 -0.45999E+01 696 0.293E+01
DAV: 5 -0.100332891863E+03 -0.91829E-01 -0.91788E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916754815321E+02 0.86574E+01 -0.30986E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908569515747E+02 0.81853E+00 -0.18324E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904760387299E+02 0.38091E+00 -0.55362E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903899457083E+02 0.86093E-01 -0.13682E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903849008163E+02 0.50449E-02 -0.48805E-02 704 0.126E+00 0.328E-01
DAV: 11 -0.903886575915E+02 -0.37568E-02 -0.80525E-03 616 0.589E-01 0.120E-01
DAV: 12 -0.903916321076E+02 -0.29745E-02 -0.64865E-03 648 0.412E-01 0.133E-01
DAV: 13 -0.903941688085E+02 -0.25367E-02 -0.18566E-03 872 0.334E-01 0.807E-02
DAV: 14 -0.903974048141E+02 -0.32360E-02 -0.13648E-03 621 0.174E-01 0.693E-02
DAV: 15 -0.903991492706E+02 -0.17445E-02 -0.30678E-04 696 0.106E-01 0.519E-02
DAV: 16 -0.904006721462E+02 -0.15229E-02 -0.10883E-03 677 0.194E-01 0.424E-02
DAV: 17 -0.904012832466E+02 -0.61110E-03 -0.15103E-04 744 0.874E-02 0.280E-02
DAV: 18 -0.904015867094E+02 -0.30346E-03 -0.78978E-05 672 0.425E-02 0.127E-02
DAV: 19 -0.904017744175E+02 -0.18771E-03 -0.56070E-05 655 0.398E-02 0.711E-03
DAV: 20 -0.904018068278E+02 -0.32410E-04 -0.55278E-06 504 0.158E-02 0.636E-03
DAV: 21 -0.904018603539E+02 -0.53526E-04 -0.11461E-05 417 0.180E-02 0.373E-03
DAV: 22 -0.904018680043E+02 -0.76505E-05 -0.48650E-06 488 0.135E-02
1 F= -.90401868E+02 E0= -.90408292E+02 d E =0.192732E-01