iterations/neb0_image02_iter19_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 0.161791280289E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296889658049E+03 -0.13210E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357955782551E+03 -0.65485E+03 -0.65112E+03 364 0.123E+02
DAV: 4 -0.433480927411E+03 -0.75525E+02 -0.75211E+02 316 0.520E+01
DAV: 5 -0.435194288869E+03 -0.17134E+01 -0.17106E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389126177115E+03 0.46068E+02 -0.15037E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385606612734E+03 0.35196E+01 -0.12423E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384163854732E+03 0.14428E+01 -0.22527E+00 332 0.376E+00 0.426E+00
DAV: 9 -0.383582920153E+03 0.58093E+00 -0.72093E-01 324 0.201E+00 0.107E+00
DAV: 10 -0.383529700198E+03 0.53220E-01 -0.14451E-01 340 0.882E-01 0.806E-01
DAV: 11 -0.383509587933E+03 0.20112E-01 -0.13761E-01 316 0.495E-01 0.594E-01
DAV: 12 -0.383488051790E+03 0.21536E-01 -0.29603E-02 316 0.424E-01 0.353E-01
DAV: 13 -0.383479748566E+03 0.83032E-02 -0.38736E-02 308 0.386E-01 0.327E-01
DAV: 14 -0.383481275436E+03 -0.15269E-02 -0.18824E-02 316 0.266E-01 0.167E-01
DAV: 15 -0.383488077899E+03 -0.68025E-02 -0.41907E-03 292 0.196E-01 0.116E-01
DAV: 16 -0.383500505590E+03 -0.12428E-01 -0.36183E-03 308 0.163E-01 0.803E-02
DAV: 17 -0.383512572163E+03 -0.12067E-01 -0.20774E-03 292 0.120E-01 0.561E-02
DAV: 18 -0.383523593640E+03 -0.11021E-01 -0.12898E-03 316 0.768E-02 0.446E-02
DAV: 19 -0.383531171981E+03 -0.75783E-02 -0.53443E-04 308 0.560E-02 0.718E-02
DAV: 20 -0.383535360708E+03 -0.41887E-02 -0.30727E-04 316 0.443E-02 0.476E-02
DAV: 21 -0.383538078776E+03 -0.27181E-02 -0.16458E-04 300 0.284E-02 0.157E-02
DAV: 22 -0.383540059338E+03 -0.19806E-02 -0.13049E-04 300 0.244E-02 0.113E-02
DAV: 23 -0.383540866478E+03 -0.80714E-03 -0.27495E-05 260 0.115E-02 0.696E-03
DAV: 24 -0.383541294862E+03 -0.42838E-03 -0.24555E-05 268 0.135E-02 0.588E-03
DAV: 25 -0.383541709396E+03 -0.41453E-03 -0.14469E-05 212 0.844E-03 0.339E-03
DAV: 26 -0.383541795683E+03 -0.86287E-04 -0.59006E-06 236 0.530E-03 0.138E-03
DAV: 27 -0.383541894620E+03 -0.98937E-04 -0.36839E-06 188 0.370E-03 0.126E-03
DAV: 28 -0.383541934934E+03 -0.40314E-04 -0.20534E-06 220 0.243E-03 0.110E-03
DAV: 29 -0.383541951550E+03 -0.16616E-04 -0.85722E-07 220 0.235E-03 0.462E-04
DAV: 30 -0.383541962038E+03 -0.10488E-04 -0.73013E-07 212 0.196E-03 0.899E-04
DAV: 31 -0.383541963882E+03 -0.18443E-05 -0.17322E-07 236 0.955E-04
1 F= -.38354196E+03 E0= -.38355486E+03 d E =0.386858E-01