iterations/neb0_image06_iter68_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 0.145304236540E+04 0.14530E+04 -0.44255E+04 330 0.697E+02
DAV: 2 0.230803032761E+03 -0.12222E+04 -0.11452E+04 417 0.163E+02
DAV: 3 -0.364866215951E+03 -0.59567E+03 -0.59217E+03 354 0.115E+02
DAV: 4 -0.433676473757E+03 -0.68810E+02 -0.68563E+02 300 0.498E+01
DAV: 5 -0.435223580718E+03 -0.15471E+01 -0.15442E+01 327 0.768E+00 0.429E+01
DAV: 6 -0.388756750429E+03 0.46467E+02 -0.15025E+02 309 0.286E+01 0.210E+01
DAV: 7 -0.385236332232E+03 0.35204E+01 -0.13712E+01 354 0.785E+00 0.105E+01
DAV: 8 -0.383761449066E+03 0.14749E+01 -0.20868E+00 327 0.391E+00 0.442E+00
DAV: 9 -0.383221680954E+03 0.53977E+00 -0.20194E+00 336 0.256E+00 0.130E+00
DAV: 10 -0.383144844745E+03 0.76836E-01 -0.17071E-01 327 0.109E+00 0.957E-01
DAV: 11 -0.383118197511E+03 0.26647E-01 -0.14801E-01 309 0.733E-01 0.602E-01
DAV: 12 -0.383095246888E+03 0.22951E-01 -0.20642E-02 336 0.411E-01 0.495E-01
DAV: 13 -0.383082689831E+03 0.12557E-01 -0.14356E-01 363 0.583E-01 0.810E-01
DAV: 14 -0.383073298140E+03 0.93917E-02 -0.66344E-02 336 0.314E-01 0.264E-01
DAV: 15 -0.383076604560E+03 -0.33064E-02 -0.14069E-02 300 0.285E-01 0.360E-01
DAV: 16 -0.383082501616E+03 -0.58971E-02 -0.13135E-02 300 0.269E-01 0.182E-01
DAV: 17 -0.383089187134E+03 -0.66855E-02 -0.28218E-03 318 0.144E-01 0.965E-02
DAV: 18 -0.383099875484E+03 -0.10688E-01 -0.14901E-03 291 0.974E-02 0.113E-01
DAV: 19 -0.383109343577E+03 -0.94681E-02 -0.12726E-03 318 0.108E-01 0.955E-02
DAV: 20 -0.383114483318E+03 -0.51397E-02 -0.79482E-04 327 0.848E-02 0.976E-02
DAV: 21 -0.383116721504E+03 -0.22382E-02 -0.21557E-04 327 0.395E-02 0.491E-02
DAV: 22 -0.383119562575E+03 -0.28411E-02 -0.12656E-04 291 0.286E-02 0.377E-02
DAV: 23 -0.383122638899E+03 -0.30763E-02 -0.23658E-04 309 0.334E-02 0.262E-02
DAV: 24 -0.383124477535E+03 -0.18386E-02 -0.10389E-04 309 0.215E-02 0.279E-02
DAV: 25 -0.383125099232E+03 -0.62170E-03 -0.31815E-05 282 0.133E-02 0.217E-02
DAV: 26 -0.383125436013E+03 -0.33678E-03 -0.11557E-05 219 0.783E-03 0.112E-02
DAV: 27 -0.383125655540E+03 -0.21953E-03 -0.12051E-05 228 0.675E-03 0.379E-03
DAV: 28 -0.383125817615E+03 -0.16208E-03 -0.32517E-06 210 0.475E-03 0.222E-03
DAV: 29 -0.383125937456E+03 -0.11984E-03 -0.47398E-06 210 0.433E-03 0.416E-03
DAV: 30 -0.383125977219E+03 -0.39763E-04 -0.17741E-06 219 0.285E-03 0.150E-03
DAV: 31 -0.383126006058E+03 -0.28839E-04 -0.12559E-06 201 0.257E-03 0.824E-04
DAV: 32 -0.383126012602E+03 -0.65440E-05 -0.40667E-07 237 0.131E-03
1 F= -.38312601E+03 E0= -.38313909E+03 d E =0.392375E-01