iterations/neb0_image02_iter16_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161788336594E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296774500443E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357996500818E+03 -0.65477E+03 -0.65106E+03 364 0.123E+02
DAV: 4 -0.433480658608E+03 -0.75484E+02 -0.75170E+02 316 0.520E+01
DAV: 5 -0.435192681228E+03 -0.17120E+01 -0.17093E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389126994133E+03 0.46066E+02 -0.15034E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607251561E+03 0.35197E+01 -0.12420E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384156635324E+03 0.14506E+01 -0.22383E+00 332 0.377E+00 0.431E+00
DAV: 9 -0.383606344057E+03 0.55029E+00 -0.13435E+00 324 0.214E+00 0.108E+00
DAV: 10 -0.383546453869E+03 0.59890E-01 -0.11262E-01 332 0.916E-01 0.784E-01
DAV: 11 -0.383509861068E+03 0.36593E-01 -0.74950E-02 324 0.682E-01 0.527E-01
DAV: 12 -0.383495685428E+03 0.14176E-01 -0.49890E-02 364 0.548E-01 0.622E-01
DAV: 13 -0.383490453754E+03 0.52317E-02 -0.35580E-02 340 0.328E-01 0.345E-01
DAV: 14 -0.383489846534E+03 0.60722E-03 -0.32743E-02 300 0.331E-01 0.515E-01
DAV: 15 -0.383491593565E+03 -0.17470E-02 -0.19281E-02 308 0.275E-01 0.408E-01
DAV: 16 -0.383493654859E+03 -0.20613E-02 -0.15232E-02 308 0.204E-01 0.162E-01
DAV: 17 -0.383503195132E+03 -0.95403E-02 -0.33114E-03 284 0.147E-01 0.128E-01
DAV: 18 -0.383514999755E+03 -0.11805E-01 -0.20578E-03 284 0.114E-01 0.122E-01
DAV: 19 -0.383525333132E+03 -0.10333E-01 -0.24227E-03 300 0.113E-01 0.735E-02
DAV: 20 -0.383531395577E+03 -0.60624E-02 -0.78538E-04 332 0.686E-02 0.639E-02
DAV: 21 -0.383535217275E+03 -0.38217E-02 -0.15143E-04 308 0.311E-02 0.337E-02
DAV: 22 -0.383539871083E+03 -0.46538E-02 -0.29632E-04 332 0.345E-02 0.174E-02
DAV: 23 -0.383542803605E+03 -0.29325E-02 -0.15241E-04 300 0.236E-02 0.223E-02
DAV: 24 -0.383543762531E+03 -0.95893E-03 -0.64986E-05 316 0.150E-02 0.680E-03
DAV: 25 -0.383544738377E+03 -0.97585E-03 -0.52720E-05 268 0.127E-02 0.897E-03
DAV: 26 -0.383545004477E+03 -0.26610E-03 -0.11904E-05 228 0.690E-03 0.338E-03
DAV: 27 -0.383545235885E+03 -0.23141E-03 -0.14901E-05 228 0.756E-03 0.490E-03
DAV: 28 -0.383545272108E+03 -0.36223E-04 -0.22272E-06 236 0.345E-03 0.191E-03
DAV: 29 -0.383545318135E+03 -0.46027E-04 -0.22161E-06 188 0.370E-03 0.179E-03
DAV: 30 -0.383545352728E+03 -0.34593E-04 -0.13458E-06 212 0.240E-03 0.866E-04
DAV: 31 -0.383545365048E+03 -0.12320E-04 -0.55439E-07 228 0.168E-03 0.774E-04
DAV: 32 -0.383545374569E+03 -0.95218E-05 -0.27550E-07 212 0.117E-03
1 F= -.38354537E+03 E0= -.38355847E+03 d E =0.392869E-01