iterations/neb0_image04_iter16_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 0.144971673282E+04 0.14497E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.225401444081E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362380037329E+03 -0.58778E+03 -0.58446E+03 345 0.114E+02
DAV: 4 -0.433323131448E+03 -0.70943E+02 -0.70682E+02 318 0.509E+01
DAV: 5 -0.434910890648E+03 -0.15878E+01 -0.15853E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389021418264E+03 0.45889E+02 -0.14765E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385569127630E+03 0.34523E+01 -0.13470E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384105485206E+03 0.14636E+01 -0.21416E+00 327 0.385E+00 0.434E+00
DAV: 9 -0.383565042805E+03 0.54044E+00 -0.15523E+00 327 0.240E+00 0.135E+00
DAV: 10 -0.383500315514E+03 0.64727E-01 -0.34987E-01 336 0.117E+00 0.107E+00
DAV: 11 -0.383473575679E+03 0.26740E-01 -0.26334E-01 345 0.673E-01 0.101E+00
DAV: 12 -0.383457960161E+03 0.15616E-01 -0.30059E-01 354 0.764E-01 0.932E-01
DAV: 13 -0.383435946306E+03 0.22014E-01 -0.13565E-01 354 0.552E-01 0.668E-01
DAV: 14 -0.383424228504E+03 0.11718E-01 -0.54556E-02 327 0.382E-01 0.482E-01
DAV: 15 -0.383420314690E+03 0.39138E-02 -0.29311E-02 318 0.445E-01 0.377E-01
DAV: 16 -0.383421905058E+03 -0.15904E-02 -0.12051E-02 318 0.277E-01 0.184E-01
DAV: 17 -0.383427475557E+03 -0.55705E-02 -0.39131E-03 300 0.190E-01 0.154E-01
DAV: 18 -0.383434843064E+03 -0.73675E-02 -0.30445E-03 372 0.187E-01 0.112E-01
DAV: 19 -0.383444089531E+03 -0.92465E-02 -0.40284E-03 327 0.152E-01 0.174E-01
DAV: 20 -0.383443033433E+03 0.10561E-02 -0.24685E-03 345 0.835E-02 0.743E-02
DAV: 21 -0.383450135238E+03 -0.71018E-02 -0.98300E-04 291 0.836E-02 0.854E-02
DAV: 22 -0.383456217323E+03 -0.60821E-02 -0.63075E-04 309 0.691E-02 0.733E-02
DAV: 23 -0.383462094167E+03 -0.58768E-02 -0.90152E-04 309 0.647E-02 0.399E-02
DAV: 24 -0.383464956434E+03 -0.28623E-02 -0.34981E-04 318 0.378E-02 0.374E-02
DAV: 25 -0.383466194612E+03 -0.12382E-02 -0.76948E-05 327 0.236E-02 0.416E-02
DAV: 26 -0.383468018893E+03 -0.18243E-02 -0.10608E-04 291 0.271E-02 0.131E-02
DAV: 27 -0.383468520744E+03 -0.50185E-03 -0.31522E-05 300 0.129E-02 0.103E-02
DAV: 28 -0.383469476960E+03 -0.95622E-03 -0.50470E-05 273 0.127E-02 0.899E-03
DAV: 29 -0.383469754728E+03 -0.27777E-03 -0.79679E-06 246 0.678E-03 0.704E-03
DAV: 30 -0.383469966778E+03 -0.21205E-03 -0.81757E-06 201 0.642E-03 0.610E-03
DAV: 31 -0.383470077642E+03 -0.11086E-03 -0.41586E-06 219 0.532E-03 0.319E-03
DAV: 32 -0.383470121247E+03 -0.43605E-04 -0.24139E-06 237 0.383E-03 0.152E-03
DAV: 33 -0.383470156450E+03 -0.35203E-04 -0.15764E-06 210 0.272E-03 0.171E-03
DAV: 34 -0.383470173815E+03 -0.17365E-04 -0.66800E-07 228 0.170E-03 0.941E-04
DAV: 35 -0.383470191757E+03 -0.17942E-04 -0.91798E-07 201 0.200E-03 0.114E-03
DAV: 36 -0.383470195561E+03 -0.38036E-05 -0.25748E-07 228 0.118E-03
1 F= -.38347020E+03 E0= -.38348691E+03 d E =0.501567E-01