iterations/neb0_image03_iter75_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 0.145494983800E+04 0.14549E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.227700102274E+03 -0.12272E+04 -0.11523E+04 435 0.163E+02
DAV: 3 -0.361073353872E+03 -0.58877E+03 -0.58492E+03 345 0.114E+02
DAV: 4 -0.432737867807E+03 -0.71665E+02 -0.71411E+02 309 0.513E+01
DAV: 5 -0.434345762433E+03 -0.16079E+01 -0.16051E+01 327 0.792E+00 0.429E+01
DAV: 6 -0.387521487566E+03 0.46824E+02 -0.14955E+02 309 0.289E+01 0.209E+01
DAV: 7 -0.384030480073E+03 0.34910E+01 -0.13774E+01 336 0.797E+00 0.105E+01
DAV: 8 -0.382579113641E+03 0.14514E+01 -0.22768E+00 345 0.387E+00 0.441E+00
DAV: 9 -0.381999928894E+03 0.57918E+00 -0.11160E+00 336 0.226E+00 0.132E+00
DAV: 10 -0.381944841878E+03 0.55087E-01 -0.49504E-01 336 0.114E+00 0.956E-01
DAV: 11 -0.381910172274E+03 0.34670E-01 -0.11465E-01 327 0.629E-01 0.708E-01
DAV: 12 -0.381890703922E+03 0.19468E-01 -0.54207E-02 345 0.504E-01 0.608E-01
DAV: 13 -0.381877957271E+03 0.12747E-01 -0.14680E-01 318 0.516E-01 0.864E-01
DAV: 14 -0.381868995279E+03 0.89620E-02 -0.16293E-01 345 0.442E-01 0.588E-01
DAV: 15 -0.381868926677E+03 0.68602E-04 -0.16990E-02 336 0.366E-01 0.372E-01
DAV: 16 -0.381871455172E+03 -0.25285E-02 -0.68047E-03 309 0.231E-01 0.284E-01
DAV: 17 -0.381879773384E+03 -0.83182E-02 -0.51869E-03 300 0.217E-01 0.108E-01
DAV: 18 -0.381890772770E+03 -0.10999E-01 -0.23507E-03 300 0.163E-01 0.729E-02
DAV: 19 -0.381901417760E+03 -0.10645E-01 -0.18177E-03 327 0.113E-01 0.126E-01
DAV: 20 -0.381906923288E+03 -0.55055E-02 -0.11062E-03 336 0.748E-02 0.463E-02
DAV: 21 -0.381914145003E+03 -0.72217E-02 -0.58226E-04 300 0.507E-02 0.349E-02
DAV: 22 -0.381916689311E+03 -0.25443E-02 -0.13284E-04 327 0.242E-02 0.243E-02
DAV: 23 -0.381918860813E+03 -0.21715E-02 -0.12095E-04 309 0.246E-02 0.221E-02
DAV: 24 -0.381920365380E+03 -0.15046E-02 -0.70812E-05 291 0.168E-02 0.120E-02
DAV: 25 -0.381921172768E+03 -0.80739E-03 -0.38724E-05 273 0.134E-02 0.841E-03
DAV: 26 -0.381921434056E+03 -0.26129E-03 -0.73553E-06 237 0.723E-03 0.608E-03
DAV: 27 -0.381921621387E+03 -0.18733E-03 -0.53853E-06 201 0.535E-03 0.296E-03
DAV: 28 -0.381921751311E+03 -0.12992E-03 -0.42180E-06 219 0.459E-03 0.209E-03
DAV: 29 -0.381921790638E+03 -0.39326E-04 -0.18306E-06 237 0.365E-03 0.286E-03
DAV: 30 -0.381921838754E+03 -0.48117E-04 -0.17022E-06 201 0.294E-03 0.148E-03
DAV: 31 -0.381921852894E+03 -0.14140E-04 -0.72428E-07 228 0.189E-03 0.115E-03
DAV: 32 -0.381921866027E+03 -0.13133E-04 -0.49377E-07 201 0.135E-03 0.513E-04
DAV: 33 -0.381921871088E+03 -0.50614E-05 -0.21188E-07 228 0.101E-03
1 F= -.38192187E+03 E0= -.38193497E+03 d E =0.392927E-01