iterations/neb0_image03_iter62_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144849372725E+04 0.14485E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.224156500070E+03 -0.12243E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362673193371E+03 -0.58683E+03 -0.58355E+03 345 0.114E+02
DAV: 4 -0.433435872448E+03 -0.70763E+02 -0.70533E+02 309 0.509E+01
DAV: 5 -0.435031525940E+03 -0.15957E+01 -0.15930E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389065870492E+03 0.45966E+02 -0.14821E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385602831337E+03 0.34630E+01 -0.13663E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384137403344E+03 0.14654E+01 -0.24341E+00 336 0.390E+00 0.438E+00
DAV: 9 -0.383594623032E+03 0.54278E+00 -0.17228E+00 345 0.246E+00 0.134E+00
DAV: 10 -0.383509884154E+03 0.84739E-01 -0.17095E-01 327 0.113E+00 0.102E+00
DAV: 11 -0.383488577047E+03 0.21307E-01 -0.38794E-01 327 0.954E-01 0.765E-01
DAV: 12 -0.383460707812E+03 0.27869E-01 -0.33617E-02 327 0.497E-01 0.650E-01
DAV: 13 -0.383454806272E+03 0.59015E-02 -0.32579E-02 345 0.489E-01 0.882E-01
DAV: 14 -0.383438160937E+03 0.16645E-01 -0.17915E-01 336 0.462E-01 0.423E-01
DAV: 15 -0.383435231369E+03 0.29296E-02 -0.10330E-02 309 0.326E-01 0.251E-01
DAV: 16 -0.383443755698E+03 -0.85243E-02 -0.44641E-02 327 0.323E-01 0.620E-01
DAV: 17 -0.383443464876E+03 0.29082E-03 -0.11008E-02 309 0.212E-01 0.262E-01
DAV: 18 -0.383451592463E+03 -0.81276E-02 -0.26224E-03 291 0.144E-01 0.163E-01
DAV: 19 -0.383460082819E+03 -0.84904E-02 -0.17919E-03 336 0.129E-01 0.970E-02
DAV: 20 -0.383467425869E+03 -0.73431E-02 -0.12817E-03 327 0.132E-01 0.136E-01
DAV: 21 -0.383472204350E+03 -0.47785E-02 -0.68376E-04 327 0.843E-02 0.916E-02
DAV: 22 -0.383476836699E+03 -0.46323E-02 -0.24250E-04 309 0.361E-02 0.913E-02
DAV: 23 -0.383483074262E+03 -0.62376E-02 -0.56502E-04 300 0.454E-02 0.396E-02
DAV: 24 -0.383484588019E+03 -0.15138E-02 -0.99971E-05 336 0.248E-02 0.187E-02
DAV: 25 -0.383485583873E+03 -0.99585E-03 -0.41710E-05 309 0.143E-02 0.195E-02
DAV: 26 -0.383486867855E+03 -0.12840E-02 -0.46005E-05 282 0.123E-02 0.244E-02
DAV: 27 -0.383487619996E+03 -0.75214E-03 -0.32977E-05 255 0.110E-02 0.114E-02
DAV: 28 -0.383487854067E+03 -0.23407E-03 -0.87210E-06 237 0.611E-03 0.553E-03
DAV: 29 -0.383488051960E+03 -0.19789E-03 -0.67828E-06 210 0.558E-03 0.261E-03
DAV: 30 -0.383488203690E+03 -0.15173E-03 -0.57927E-06 228 0.461E-03 0.271E-03
DAV: 31 -0.383488226224E+03 -0.22534E-04 -0.15916E-06 237 0.291E-03 0.414E-03
DAV: 32 -0.383488278565E+03 -0.52341E-04 -0.26467E-06 183 0.343E-03 0.283E-03
DAV: 33 -0.383488288885E+03 -0.10320E-04 -0.73607E-07 228 0.186E-03 0.271E-03
DAV: 34 -0.383488293738E+03 -0.48527E-05 -0.27448E-07 228 0.109E-03
1 F= -.38348829E+03 E0= -.38350503E+03 d E =0.502202E-01