iterations/neb0_image06_iter25_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 0.145051380563E+04 0.14505E+04 -0.44222E+04 330 0.697E+02
DAV: 2 0.227429823802E+03 -0.12231E+04 -0.11468E+04 426 0.163E+02
DAV: 3 -0.365405141845E+03 -0.59283E+03 -0.58954E+03 354 0.114E+02
DAV: 4 -0.433208496819E+03 -0.67803E+02 -0.67549E+02 318 0.490E+01
DAV: 5 -0.434694107772E+03 -0.14856E+01 -0.14831E+01 318 0.756E+00 0.426E+01
DAV: 6 -0.388886512913E+03 0.45808E+02 -0.14832E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385453069899E+03 0.34334E+01 -0.13153E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383981521595E+03 0.14715E+01 -0.19307E+00 327 0.382E+00 0.432E+00
DAV: 9 -0.383454323617E+03 0.52720E+00 -0.12214E+00 336 0.220E+00 0.113E+00
DAV: 10 -0.383384969469E+03 0.69354E-01 -0.21357E-01 336 0.100E+00 0.963E-01
DAV: 11 -0.383360979739E+03 0.23990E-01 -0.12798E-01 327 0.550E-01 0.869E-01
DAV: 12 -0.383342445618E+03 0.18534E-01 -0.12400E-01 381 0.669E-01 0.115E+00
DAV: 13 -0.383318774059E+03 0.23672E-01 -0.25025E-01 372 0.562E-01 0.498E-01
DAV: 14 -0.383310336813E+03 0.84372E-02 -0.24370E-02 309 0.469E-01 0.699E-01
DAV: 15 -0.383305405786E+03 0.49310E-02 -0.31856E-02 327 0.283E-01 0.489E-01
DAV: 16 -0.383306349953E+03 -0.94417E-03 -0.11548E-02 291 0.229E-01 0.224E-01
DAV: 17 -0.383315541149E+03 -0.91912E-02 -0.44351E-03 318 0.206E-01 0.102E-01
DAV: 18 -0.383329295524E+03 -0.13754E-01 -0.42483E-03 300 0.239E-01 0.616E-02
DAV: 19 -0.383337894292E+03 -0.85988E-02 -0.23990E-03 327 0.131E-01 0.911E-02
DAV: 20 -0.383342231838E+03 -0.43375E-02 -0.30438E-04 336 0.446E-02 0.112E-01
DAV: 21 -0.383349740715E+03 -0.75089E-02 -0.89179E-04 318 0.573E-02 0.580E-02
DAV: 22 -0.383354044162E+03 -0.43034E-02 -0.41261E-04 327 0.445E-02 0.452E-02
DAV: 23 -0.383355259026E+03 -0.12149E-02 -0.14891E-04 327 0.284E-02 0.277E-02
DAV: 24 -0.383356348195E+03 -0.10892E-02 -0.43521E-05 264 0.151E-02 0.282E-02
DAV: 25 -0.383358085934E+03 -0.17377E-02 -0.11238E-04 300 0.180E-02 0.102E-02
DAV: 26 -0.383358649100E+03 -0.56317E-03 -0.21183E-05 264 0.914E-03 0.732E-03
DAV: 27 -0.383358877429E+03 -0.22833E-03 -0.61531E-06 237 0.562E-03 0.760E-03
DAV: 28 -0.383359219045E+03 -0.34162E-03 -0.18454E-05 219 0.901E-03 0.742E-03
DAV: 29 -0.383359273899E+03 -0.54854E-04 -0.49163E-06 228 0.550E-03 0.558E-03
DAV: 30 -0.383359286210E+03 -0.12311E-04 -0.10823E-06 246 0.269E-03 0.388E-03
DAV: 31 -0.383359328730E+03 -0.42521E-04 -0.10563E-06 210 0.251E-03 0.159E-03
DAV: 32 -0.383359364401E+03 -0.35671E-04 -0.13783E-06 219 0.248E-03 0.127E-03
DAV: 33 -0.383359382743E+03 -0.18342E-04 -0.54984E-07 210 0.154E-03 0.110E-03
DAV: 34 -0.383359391178E+03 -0.84347E-05 -0.39102E-07 228 0.158E-03
1 F= -.38335939E+03 E0= -.38337616E+03 d E =0.503165E-01