iterations/neb0_image03_iter55_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 0.144708513824E+04 0.14471E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.226901751570E+03 -0.12202E+04 -0.11437E+04 426 0.163E+02
DAV: 3 -0.362132263405E+03 -0.58903E+03 -0.58590E+03 345 0.114E+02
DAV: 4 -0.433158948824E+03 -0.71027E+02 -0.70754E+02 309 0.511E+01
DAV: 5 -0.434762693511E+03 -0.16037E+01 -0.16010E+01 327 0.786E+00 0.426E+01
DAV: 6 -0.388898903911E+03 0.45864E+02 -0.14774E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385412065247E+03 0.34868E+01 -0.12642E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.383940542821E+03 0.14715E+01 -0.17373E+00 327 0.364E+00 0.419E+00
DAV: 9 -0.383388019150E+03 0.55252E+00 -0.70379E-01 336 0.204E+00 0.138E+00
DAV: 10 -0.383331773688E+03 0.56245E-01 -0.35088E-01 336 0.990E-01 0.829E-01
DAV: 11 -0.383301409146E+03 0.30365E-01 -0.52915E-02 327 0.578E-01 0.979E-01
DAV: 12 -0.383288203379E+03 0.13206E-01 -0.15821E-01 381 0.374E-01 0.787E-01
DAV: 13 -0.383265869401E+03 0.22334E-01 -0.21811E-02 318 0.510E-01 0.689E-01
DAV: 14 -0.383262506412E+03 0.33630E-02 -0.15644E-01 336 0.460E-01 0.703E-01
DAV: 15 -0.383259110698E+03 0.33957E-02 -0.92093E-03 309 0.288E-01 0.157E-01
DAV: 16 -0.383268806708E+03 -0.96960E-02 -0.60532E-03 300 0.224E-01 0.146E-01
DAV: 17 -0.383277410633E+03 -0.86039E-02 -0.34270E-03 318 0.150E-01 0.121E-01
DAV: 18 -0.383289818961E+03 -0.12408E-01 -0.26140E-03 318 0.149E-01 0.667E-02
DAV: 19 -0.383297940116E+03 -0.81212E-02 -0.95686E-04 318 0.852E-02 0.415E-02
DAV: 20 -0.383302516351E+03 -0.45762E-02 -0.19499E-04 345 0.323E-02 0.317E-02
DAV: 21 -0.383309636474E+03 -0.71201E-02 -0.44834E-04 291 0.389E-02 0.164E-02
DAV: 22 -0.383312008300E+03 -0.23718E-02 -0.95529E-05 318 0.186E-02 0.157E-02
DAV: 23 -0.383314394518E+03 -0.23862E-02 -0.15148E-04 282 0.215E-02 0.701E-03
DAV: 24 -0.383314815383E+03 -0.42087E-03 -0.10341E-05 237 0.795E-03 0.600E-03
DAV: 25 -0.383315358708E+03 -0.54332E-03 -0.29443E-05 237 0.116E-02 0.384E-03
DAV: 26 -0.383315540130E+03 -0.18142E-03 -0.50287E-06 228 0.495E-03 0.311E-03
DAV: 27 -0.383315629053E+03 -0.88923E-04 -0.37900E-06 228 0.477E-03 0.185E-03
DAV: 28 -0.383315716062E+03 -0.87009E-04 -0.26805E-06 201 0.335E-03 0.205E-03
DAV: 29 -0.383315748603E+03 -0.32541E-04 -0.14017E-06 219 0.256E-03 0.173E-03
DAV: 30 -0.383315770617E+03 -0.22014E-04 -0.15344E-06 219 0.336E-03 0.158E-03
DAV: 31 -0.383315777138E+03 -0.65206E-05 -0.46268E-07 219 0.156E-03
1 F= -.38331578E+03 E0= -.38333242E+03 d E =0.499354E-01