iterations/neb0_image04_iter18_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 0.144967870717E+04 0.14497E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.225332583957E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362417663896E+03 -0.58775E+03 -0.58444E+03 345 0.114E+02
DAV: 4 -0.433327563893E+03 -0.70910E+02 -0.70649E+02 318 0.509E+01
DAV: 5 -0.434914834165E+03 -0.15873E+01 -0.15848E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389024017689E+03 0.45891E+02 -0.14765E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385571719087E+03 0.34523E+01 -0.13474E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384110255115E+03 0.14615E+01 -0.22019E+00 327 0.386E+00 0.434E+00
DAV: 9 -0.383570420606E+03 0.53983E+00 -0.15966E+00 327 0.242E+00 0.133E+00
DAV: 10 -0.383497062845E+03 0.73358E-01 -0.25020E-01 327 0.115E+00 0.104E+00
DAV: 11 -0.383479175861E+03 0.17887E-01 -0.31355E-01 336 0.673E-01 0.102E+00
DAV: 12 -0.383462040344E+03 0.17136E-01 -0.31120E-01 336 0.745E-01 0.100E+00
DAV: 13 -0.383436267382E+03 0.25773E-01 -0.75414E-02 345 0.573E-01 0.623E-01
DAV: 14 -0.383425738320E+03 0.10529E-01 -0.35963E-02 318 0.375E-01 0.417E-01
DAV: 15 -0.383421433356E+03 0.43050E-02 -0.28612E-02 327 0.437E-01 0.330E-01
DAV: 16 -0.383423360920E+03 -0.19276E-02 -0.87051E-03 327 0.289E-01 0.172E-01
DAV: 17 -0.383429829440E+03 -0.64685E-02 -0.62089E-03 300 0.200E-01 0.186E-01
DAV: 18 -0.383432642571E+03 -0.28131E-02 -0.36459E-03 318 0.109E-01 0.140E-01
DAV: 19 -0.383442791021E+03 -0.10148E-01 -0.34360E-03 282 0.157E-01 0.102E-01
DAV: 20 -0.383452135883E+03 -0.93449E-02 -0.17890E-03 309 0.118E-01 0.788E-02
DAV: 21 -0.383460352637E+03 -0.82168E-02 -0.97115E-04 336 0.824E-02 0.662E-02
DAV: 22 -0.383464651422E+03 -0.42988E-02 -0.34586E-04 318 0.433E-02 0.479E-02
DAV: 23 -0.383466643044E+03 -0.19916E-02 -0.75914E-05 327 0.274E-02 0.201E-02
DAV: 24 -0.383469587789E+03 -0.29447E-02 -0.15181E-04 300 0.238E-02 0.135E-02
DAV: 25 -0.383471060914E+03 -0.14731E-02 -0.59646E-05 300 0.141E-02 0.834E-03
DAV: 26 -0.383472097562E+03 -0.10366E-02 -0.51544E-05 291 0.121E-02 0.770E-03
DAV: 27 -0.383472306757E+03 -0.20920E-03 -0.38190E-06 237 0.480E-03 0.378E-03
DAV: 28 -0.383472596396E+03 -0.28964E-03 -0.12780E-05 228 0.626E-03 0.223E-03
DAV: 29 -0.383472639637E+03 -0.43242E-04 -0.14339E-06 237 0.301E-03 0.179E-03
DAV: 30 -0.383472698977E+03 -0.59340E-04 -0.16138E-06 201 0.282E-03 0.157E-03
DAV: 31 -0.383472731682E+03 -0.32705E-04 -0.10682E-06 219 0.202E-03 0.102E-03
DAV: 32 -0.383472741594E+03 -0.99117E-05 -0.28755E-07 237 0.115E-03
1 F= -.38347274E+03 E0= -.38348943E+03 d E =0.500758E-01