iterations/neb0_image02_iter31_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 0.144770793924E+04 0.14477E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224306898242E+03 -0.12234E+04 -0.11467E+04 435 0.163E+02
DAV: 3 -0.362842948257E+03 -0.58715E+03 -0.58401E+03 345 0.114E+02
DAV: 4 -0.433419014531E+03 -0.70576E+02 -0.70338E+02 309 0.508E+01
DAV: 5 -0.435003023250E+03 -0.15840E+01 -0.15814E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389076529918E+03 0.45926E+02 -0.14796E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385611160618E+03 0.34654E+01 -0.13403E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384135169970E+03 0.14760E+01 -0.20569E+00 327 0.381E+00 0.430E+00
DAV: 9 -0.383595419469E+03 0.53975E+00 -0.16014E+00 345 0.240E+00 0.137E+00
DAV: 10 -0.383536903205E+03 0.58516E-01 -0.42948E-01 318 0.116E+00 0.101E+00
DAV: 11 -0.383500164666E+03 0.36739E-01 -0.12374E-01 336 0.645E-01 0.822E-01
DAV: 12 -0.383485727691E+03 0.14437E-01 -0.15869E-01 336 0.719E-01 0.915E-01
DAV: 13 -0.383468745929E+03 0.16982E-01 -0.17289E-01 372 0.544E-01 0.694E-01
DAV: 14 -0.383455328206E+03 0.13418E-01 -0.61519E-02 327 0.387E-01 0.380E-01
DAV: 15 -0.383453923089E+03 0.14051E-02 -0.25434E-02 327 0.404E-01 0.401E-01
DAV: 16 -0.383456243390E+03 -0.23203E-02 -0.18954E-02 327 0.252E-01 0.259E-01
DAV: 17 -0.383463198985E+03 -0.69556E-02 -0.27933E-03 282 0.157E-01 0.169E-01
DAV: 18 -0.383473841341E+03 -0.10642E-01 -0.31883E-03 318 0.168E-01 0.910E-02
DAV: 19 -0.383485675917E+03 -0.11835E-01 -0.19110E-03 309 0.146E-01 0.552E-02
DAV: 20 -0.383491988093E+03 -0.63122E-02 -0.74598E-04 327 0.778E-02 0.565E-02
DAV: 21 -0.383495537005E+03 -0.35489E-02 -0.15546E-04 336 0.316E-02 0.574E-02
DAV: 22 -0.383501296872E+03 -0.57599E-02 -0.36129E-04 291 0.384E-02 0.250E-02
DAV: 23 -0.383503330853E+03 -0.20340E-02 -0.12026E-04 336 0.244E-02 0.175E-02
DAV: 24 -0.383504364319E+03 -0.10335E-02 -0.58618E-05 318 0.223E-02 0.183E-02
DAV: 25 -0.383505124462E+03 -0.76014E-03 -0.19414E-05 228 0.131E-02 0.941E-03
DAV: 26 -0.383505939997E+03 -0.81554E-03 -0.57208E-05 282 0.171E-02 0.806E-03
DAV: 27 -0.383506080468E+03 -0.14047E-03 -0.92582E-06 273 0.851E-03 0.513E-03
DAV: 28 -0.383506132477E+03 -0.52009E-04 -0.23207E-06 237 0.413E-03 0.428E-03
DAV: 29 -0.383506242592E+03 -0.11012E-03 -0.35287E-06 219 0.638E-03 0.402E-03
DAV: 30 -0.383506294261E+03 -0.51668E-04 -0.44612E-06 237 0.609E-03 0.451E-03
DAV: 31 -0.383506292467E+03 0.17936E-05 -0.19052E-06 219 0.309E-03
1 F= -.38350629E+03 E0= -.38352064E+03 d E =0.430315E-01