iterations/neb0_image03_iter65_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 0.144839109991E+04 0.14484E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.224217930290E+03 -0.12242E+04 -0.11482E+04 435 0.163E+02
DAV: 3 -0.362613035473E+03 -0.58683E+03 -0.58348E+03 345 0.114E+02
DAV: 4 -0.433394899716E+03 -0.70782E+02 -0.70550E+02 309 0.509E+01
DAV: 5 -0.434993209197E+03 -0.15983E+01 -0.15957E+01 327 0.785E+00 0.426E+01
DAV: 6 -0.389037568874E+03 0.45956E+02 -0.14832E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385560920620E+03 0.34766E+01 -0.13349E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384080061102E+03 0.14809E+01 -0.21072E+00 345 0.383E+00 0.428E+00
DAV: 9 -0.383518112328E+03 0.56195E+00 -0.90662E-01 336 0.218E+00 0.114E+00
DAV: 10 -0.383472033226E+03 0.46079E-01 -0.40919E-01 318 0.107E+00 0.964E-01
DAV: 11 -0.383436817427E+03 0.35216E-01 -0.90136E-02 336 0.600E-01 0.597E-01
DAV: 12 -0.383411071712E+03 0.25746E-01 -0.28802E-02 318 0.443E-01 0.410E-01
DAV: 13 -0.383401437606E+03 0.96341E-02 -0.27718E-02 336 0.423E-01 0.391E-01
DAV: 14 -0.383396558747E+03 0.48789E-02 -0.93084E-03 345 0.381E-01 0.349E-01
DAV: 15 -0.383400580833E+03 -0.40221E-02 -0.99463E-03 363 0.348E-01 0.264E-01
DAV: 16 -0.383403646680E+03 -0.30658E-02 -0.54974E-03 309 0.209E-01 0.139E-01
DAV: 17 -0.383414170809E+03 -0.10524E-01 -0.36781E-03 291 0.161E-01 0.124E-01
DAV: 18 -0.383425494046E+03 -0.11323E-01 -0.25454E-03 300 0.160E-01 0.109E-01
DAV: 19 -0.383432557672E+03 -0.70636E-02 -0.18303E-03 318 0.117E-01 0.705E-02
DAV: 20 -0.383436630683E+03 -0.40730E-02 -0.48936E-04 327 0.578E-02 0.423E-02
DAV: 21 -0.383443324695E+03 -0.66940E-02 -0.38976E-04 291 0.419E-02 0.214E-02
DAV: 22 -0.383446702843E+03 -0.33781E-02 -0.15594E-04 318 0.237E-02 0.152E-02
DAV: 23 -0.383448625294E+03 -0.19225E-02 -0.84368E-05 300 0.196E-02 0.181E-02
DAV: 24 -0.383450013405E+03 -0.13881E-02 -0.64896E-05 291 0.171E-02 0.108E-02
DAV: 25 -0.383450464102E+03 -0.45070E-03 -0.16056E-05 246 0.948E-03 0.809E-03
DAV: 26 -0.383450766672E+03 -0.30257E-03 -0.16478E-05 237 0.831E-03 0.391E-03
DAV: 27 -0.383450882831E+03 -0.11616E-03 -0.22150E-06 237 0.415E-03 0.238E-03
DAV: 28 -0.383451014201E+03 -0.13137E-03 -0.41932E-06 192 0.465E-03 0.159E-03
DAV: 29 -0.383451063509E+03 -0.49308E-04 -0.13301E-06 228 0.250E-03 0.132E-03
DAV: 30 -0.383451106542E+03 -0.43033E-04 -0.16377E-06 201 0.285E-03 0.917E-04
DAV: 31 -0.383451121904E+03 -0.15362E-04 -0.84597E-07 219 0.201E-03 0.112E-03
DAV: 32 -0.383451126993E+03 -0.50886E-05 -0.30108E-07 228 0.129E-03
1 F= -.38345113E+03 E0= -.38346367E+03 d E =0.376319E-01