iterations/neb0_image02_iter60_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 0.144724024082E+04 0.14472E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.223738793296E+03 -0.12235E+04 -0.11464E+04 435 0.163E+02
DAV: 3 -0.363130252682E+03 -0.58687E+03 -0.58376E+03 345 0.114E+02
DAV: 4 -0.433405403123E+03 -0.70275E+02 -0.70028E+02 318 0.508E+01
DAV: 5 -0.434976511585E+03 -0.15711E+01 -0.15686E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389059508387E+03 0.45917E+02 -0.14803E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385588167050E+03 0.34713E+01 -0.13441E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384107345770E+03 0.14808E+01 -0.20336E+00 336 0.382E+00 0.430E+00
DAV: 9 -0.383563121365E+03 0.54422E+00 -0.14045E+00 327 0.235E+00 0.132E+00
DAV: 10 -0.383509809806E+03 0.53312E-01 -0.42608E-01 318 0.113E+00 0.101E+00
DAV: 11 -0.383470242823E+03 0.39567E-01 -0.12225E-01 336 0.647E-01 0.803E-01
DAV: 12 -0.383462761082E+03 0.74817E-02 -0.15352E-01 345 0.721E-01 0.913E-01
DAV: 13 -0.383440767120E+03 0.21994E-01 -0.11478E-01 345 0.518E-01 0.626E-01
DAV: 14 -0.383429086745E+03 0.11680E-01 -0.44364E-02 318 0.371E-01 0.409E-01
DAV: 15 -0.383428820654E+03 0.26609E-03 -0.56809E-02 336 0.438E-01 0.560E-01
DAV: 16 -0.383427555988E+03 0.12647E-02 -0.25609E-02 345 0.287E-01 0.232E-01
DAV: 17 -0.383433535174E+03 -0.59792E-02 -0.36294E-03 282 0.171E-01 0.179E-01
DAV: 18 -0.383443418571E+03 -0.98834E-02 -0.31194E-03 363 0.211E-01 0.148E-01
DAV: 19 -0.383451979999E+03 -0.85614E-02 -0.39431E-03 345 0.194E-01 0.118E-01
DAV: 20 -0.383456376691E+03 -0.43967E-02 -0.15000E-03 309 0.935E-02 0.140E-01
DAV: 21 -0.383457567772E+03 -0.11911E-02 -0.14925E-03 381 0.620E-02 0.989E-02
DAV: 22 -0.383466157436E+03 -0.85897E-02 -0.76615E-04 282 0.744E-02 0.988E-02
DAV: 23 -0.383468302027E+03 -0.21446E-02 -0.37978E-04 327 0.424E-02 0.448E-02
DAV: 24 -0.383470376472E+03 -0.20744E-02 -0.11976E-04 318 0.252E-02 0.319E-02
DAV: 25 -0.383473720273E+03 -0.33438E-02 -0.16454E-04 291 0.271E-02 0.228E-02
DAV: 26 -0.383474829591E+03 -0.11093E-02 -0.69513E-05 318 0.172E-02 0.214E-02
DAV: 27 -0.383475647213E+03 -0.81762E-03 -0.28274E-05 282 0.125E-02 0.729E-03
DAV: 28 -0.383476568185E+03 -0.92097E-03 -0.51302E-05 282 0.118E-02 0.475E-03
DAV: 29 -0.383476743694E+03 -0.17551E-03 -0.45507E-06 237 0.464E-03 0.642E-03
DAV: 30 -0.383476934102E+03 -0.19041E-03 -0.72710E-06 219 0.445E-03 0.604E-03
DAV: 31 -0.383477008881E+03 -0.74779E-04 -0.30729E-06 228 0.404E-03 0.301E-03
DAV: 32 -0.383477056370E+03 -0.47489E-04 -0.23019E-06 201 0.314E-03 0.546E-03
DAV: 33 -0.383477064773E+03 -0.84032E-05 -0.79036E-07 228 0.219E-03
1 F= -.38347706E+03 E0= -.38349364E+03 d E =0.497231E-01