iterations/neb0_image09_iter33_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 0.144742358913E+04 0.14474E+04 -0.44240E+04 330 0.697E+02
DAV: 2 0.238933416314E+03 -0.12085E+04 -0.11349E+04 408 0.163E+02
DAV: 3 -0.360338408313E+03 -0.59927E+03 -0.59498E+03 354 0.115E+02
DAV: 4 -0.431810241845E+03 -0.71472E+02 -0.71223E+02 309 0.505E+01
DAV: 5 -0.433435857257E+03 -0.16256E+01 -0.16225E+01 318 0.787E+00 0.425E+01
DAV: 6 -0.387941964361E+03 0.45494E+02 -0.14816E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384559600133E+03 0.33824E+01 -0.13250E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383103287083E+03 0.14563E+01 -0.26015E+00 336 0.397E+00 0.436E+00
DAV: 9 -0.382581325137E+03 0.52196E+00 -0.15227E+00 336 0.241E+00 0.137E+00
DAV: 10 -0.382483363043E+03 0.97962E-01 -0.16776E-01 336 0.118E+00 0.113E+00
DAV: 11 -0.382477797969E+03 0.55651E-02 -0.64646E-01 372 0.104E+00 0.897E-01
DAV: 12 -0.382440515778E+03 0.37282E-01 -0.62137E-02 327 0.565E-01 0.745E-01
DAV: 13 -0.382424464189E+03 0.16052E-01 -0.34992E-02 336 0.407E-01 0.504E-01
DAV: 14 -0.382411912914E+03 0.12551E-01 -0.23736E-02 345 0.474E-01 0.313E-01
DAV: 15 -0.382411218026E+03 0.69489E-03 -0.15040E-02 327 0.336E-01 0.420E-01
DAV: 16 -0.382413575941E+03 -0.23579E-02 -0.14078E-02 300 0.247E-01 0.155E-01
DAV: 17 -0.382419171521E+03 -0.55956E-02 -0.28554E-03 300 0.159E-01 0.115E-01
DAV: 18 -0.382430281473E+03 -0.11110E-01 -0.37848E-03 291 0.199E-01 0.900E-02
DAV: 19 -0.382437974189E+03 -0.76927E-02 -0.19756E-03 318 0.146E-01 0.155E-01
DAV: 20 -0.382441635297E+03 -0.36611E-02 -0.61749E-04 345 0.783E-02 0.632E-02
DAV: 21 -0.382446111955E+03 -0.44767E-02 -0.25746E-04 291 0.380E-02 0.589E-02
DAV: 22 -0.382454564529E+03 -0.84526E-02 -0.72559E-04 300 0.563E-02 0.337E-02
DAV: 23 -0.382456287840E+03 -0.17233E-02 -0.11292E-04 327 0.288E-02 0.238E-02
DAV: 24 -0.382457883466E+03 -0.15956E-02 -0.10259E-04 300 0.221E-02 0.306E-02
DAV: 25 -0.382459816486E+03 -0.19330E-02 -0.11231E-04 291 0.195E-02 0.104E-02
DAV: 26 -0.382460565314E+03 -0.74883E-03 -0.29277E-05 264 0.102E-02 0.762E-03
DAV: 27 -0.382461189024E+03 -0.62371E-03 -0.31428E-05 264 0.101E-02 0.736E-03
DAV: 28 -0.382461349077E+03 -0.16005E-03 -0.49919E-06 228 0.535E-03 0.297E-03
DAV: 29 -0.382461457924E+03 -0.10885E-03 -0.31996E-06 192 0.366E-03 0.298E-03
DAV: 30 -0.382461539224E+03 -0.81300E-04 -0.27814E-06 210 0.336E-03 0.162E-03
DAV: 31 -0.382461566379E+03 -0.27154E-04 -0.11394E-06 219 0.240E-03 0.136E-03
DAV: 32 -0.382461584669E+03 -0.18291E-04 -0.88013E-07 201 0.177E-03 0.840E-04
DAV: 33 -0.382461589310E+03 -0.46405E-05 -0.28664E-07 228 0.112E-03
1 F= -.38246159E+03 E0= -.38247933E+03 d E =0.532365E-01