iterations/neb0_image04_iter108_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 0.370427274683E+03 0.37043E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.396768621300E+01 -0.36646E+03 -0.35447E+03 858 0.195E+02
DAV: 3 -0.954591352715E+02 -0.99427E+02 -0.99109E+02 680 0.116E+02
DAV: 4 -0.998725968614E+02 -0.44135E+01 -0.44025E+01 704 0.281E+01
DAV: 5 -0.999575957147E+02 -0.84999E-01 -0.84960E-01 720 0.354E+00 0.222E+01
DAV: 6 -0.914293002818E+02 0.85283E+01 -0.29961E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905686512940E+02 0.86065E+00 -0.17509E+00 720 0.628E+00 0.480E+00
DAV: 8 -0.901690863826E+02 0.39956E+00 -0.56120E-01 712 0.423E+00 0.165E+00
DAV: 9 -0.900740417611E+02 0.95045E-01 -0.13282E-01 720 0.180E+00 0.446E-01
DAV: 10 -0.900637669150E+02 0.10275E-01 -0.59709E-02 709 0.144E+00 0.358E-01
DAV: 11 -0.900676608431E+02 -0.38939E-02 -0.16132E-02 632 0.765E-01 0.151E-01
DAV: 12 -0.900689206407E+02 -0.12598E-02 -0.54318E-03 628 0.353E-01 0.148E-01
DAV: 13 -0.900720898833E+02 -0.31692E-02 -0.32723E-03 837 0.439E-01 0.797E-02
DAV: 14 -0.900762971778E+02 -0.42073E-02 -0.15422E-03 655 0.205E-01 0.720E-02
DAV: 15 -0.900781928947E+02 -0.18957E-02 -0.25779E-04 760 0.111E-01 0.416E-02
DAV: 16 -0.900802109878E+02 -0.20181E-02 -0.76675E-04 655 0.159E-01 0.347E-02
DAV: 17 -0.900811763391E+02 -0.96535E-03 -0.19723E-04 848 0.973E-02 0.146E-02
DAV: 18 -0.900816389048E+02 -0.46257E-03 -0.70157E-05 572 0.376E-02 0.940E-03
DAV: 19 -0.900817757614E+02 -0.13686E-03 -0.16502E-05 504 0.204E-02 0.276E-03
DAV: 20 -0.900818647119E+02 -0.88951E-04 -0.12684E-05 438 0.142E-02 0.400E-03
DAV: 21 -0.900818788427E+02 -0.14131E-04 -0.17119E-06 512 0.657E-03 0.298E-03
DAV: 22 -0.900818926282E+02 -0.13786E-04 -0.33249E-06 395 0.890E-03 0.161E-03
DAV: 23 -0.900818928094E+02 -0.18113E-06 -0.57213E-07 541 0.491E-03
1 F= -.90081893E+02 E0= -.90085941E+02 d E =0.121440E-01