iterations/neb0_image02_iter58_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 0.144765590553E+04 0.14477E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224005370894E+03 -0.12237E+04 -0.11467E+04 435 0.163E+02
DAV: 3 -0.363085720318E+03 -0.58709E+03 -0.58397E+03 345 0.114E+02
DAV: 4 -0.433454951916E+03 -0.70369E+02 -0.70130E+02 309 0.508E+01
DAV: 5 -0.435033595111E+03 -0.15786E+01 -0.15760E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389088453073E+03 0.45945E+02 -0.14811E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385616156444E+03 0.34723E+01 -0.13565E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384132431804E+03 0.14837E+01 -0.20607E+00 336 0.383E+00 0.431E+00
DAV: 9 -0.383589349334E+03 0.54308E+00 -0.14275E+00 336 0.236E+00 0.132E+00
DAV: 10 -0.383533600048E+03 0.55749E-01 -0.39727E-01 318 0.114E+00 0.104E+00
DAV: 11 -0.383496366212E+03 0.37234E-01 -0.16996E-01 354 0.675E-01 0.952E-01
DAV: 12 -0.383487182979E+03 0.91832E-02 -0.22168E-01 345 0.718E-01 0.106E+00
DAV: 13 -0.383466462565E+03 0.20720E-01 -0.21113E-01 354 0.561E-01 0.839E-01
DAV: 14 -0.383449088648E+03 0.17374E-01 -0.66094E-02 327 0.392E-01 0.318E-01
DAV: 15 -0.383449496633E+03 -0.40798E-03 -0.45287E-02 318 0.435E-01 0.602E-01
DAV: 16 -0.383446539764E+03 0.29569E-02 -0.98016E-03 336 0.229E-01 0.307E-01
DAV: 17 -0.383452146494E+03 -0.56067E-02 -0.57204E-03 291 0.201E-01 0.320E-01
DAV: 18 -0.383460296539E+03 -0.81500E-02 -0.38049E-03 318 0.201E-01 0.146E-01
DAV: 19 -0.383470395978E+03 -0.10099E-01 -0.38437E-03 309 0.174E-01 0.147E-01
DAV: 20 -0.383477180191E+03 -0.67842E-02 -0.13975E-03 336 0.103E-01 0.643E-02
DAV: 21 -0.383483790420E+03 -0.66102E-02 -0.53031E-04 318 0.665E-02 0.702E-02
DAV: 22 -0.383489148389E+03 -0.53580E-02 -0.29113E-04 300 0.486E-02 0.399E-02
DAV: 23 -0.383493557389E+03 -0.44090E-02 -0.34573E-04 309 0.384E-02 0.389E-02
DAV: 24 -0.383496540545E+03 -0.29832E-02 -0.19025E-04 318 0.250E-02 0.159E-02
DAV: 25 -0.383497603815E+03 -0.10633E-02 -0.40887E-05 318 0.149E-02 0.147E-02
DAV: 26 -0.383499074831E+03 -0.14710E-02 -0.75125E-05 282 0.147E-02 0.113E-02
DAV: 27 -0.383499471390E+03 -0.39656E-03 -0.14945E-05 237 0.719E-03 0.517E-03
DAV: 28 -0.383499679846E+03 -0.20846E-03 -0.82650E-06 228 0.573E-03 0.405E-03
DAV: 29 -0.383499798015E+03 -0.11817E-03 -0.41744E-06 219 0.531E-03 0.311E-03
DAV: 30 -0.383499836650E+03 -0.38635E-04 -0.20285E-06 228 0.306E-03 0.277E-03
DAV: 31 -0.383499871287E+03 -0.34637E-04 -0.12796E-06 192 0.253E-03 0.143E-03
DAV: 32 -0.383499888875E+03 -0.17588E-04 -0.79830E-07 228 0.191E-03 0.118E-03
DAV: 33 -0.383499898330E+03 -0.94552E-05 -0.39491E-07 192 0.137E-03
1 F= -.38349990E+03 E0= -.38351638E+03 d E =0.494518E-01