iterations/neb0_image04_iter22_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 0.144955130192E+04 0.14496E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225323864887E+03 -0.12242E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362366767706E+03 -0.58769E+03 -0.58437E+03 345 0.114E+02
DAV: 4 -0.433304162441E+03 -0.70937E+02 -0.70676E+02 318 0.509E+01
DAV: 5 -0.434891642865E+03 -0.15875E+01 -0.15850E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389019840031E+03 0.45872E+02 -0.14759E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385571389867E+03 0.34485E+01 -0.13525E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384111894046E+03 0.14595E+01 -0.22616E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383570831585E+03 0.54106E+00 -0.16556E+00 327 0.243E+00 0.131E+00
DAV: 10 -0.383491214072E+03 0.79618E-01 -0.17264E-01 336 0.113E+00 0.918E-01
DAV: 11 -0.383457423714E+03 0.33790E-01 -0.88816E-02 345 0.743E-01 0.646E-01
DAV: 12 -0.383439763203E+03 0.17661E-01 -0.21929E-02 327 0.516E-01 0.688E-01
DAV: 13 -0.383431196234E+03 0.85670E-02 -0.42518E-02 354 0.365E-01 0.587E-01
DAV: 14 -0.383426460611E+03 0.47356E-02 -0.68489E-02 336 0.489E-01 0.763E-01
DAV: 15 -0.383418567463E+03 0.78931E-02 -0.30025E-02 336 0.369E-01 0.275E-01
DAV: 16 -0.383422270308E+03 -0.37028E-02 -0.77606E-03 327 0.257E-01 0.140E-01
DAV: 17 -0.383435321729E+03 -0.13051E-01 -0.14154E-02 354 0.238E-01 0.354E-01
DAV: 18 -0.383434664245E+03 0.65748E-03 -0.22042E-03 327 0.110E-01 0.190E-01
DAV: 19 -0.383444262594E+03 -0.95983E-02 -0.20737E-03 291 0.123E-01 0.168E-01
DAV: 20 -0.383450276280E+03 -0.60137E-02 -0.11786E-03 336 0.880E-02 0.654E-02
DAV: 21 -0.383457632188E+03 -0.73559E-02 -0.70966E-04 318 0.703E-02 0.494E-02
DAV: 22 -0.383462735884E+03 -0.51037E-02 -0.24034E-04 336 0.384E-02 0.258E-02
DAV: 23 -0.383466451903E+03 -0.37160E-02 -0.14338E-04 291 0.258E-02 0.326E-02
DAV: 24 -0.383468174917E+03 -0.17230E-02 -0.69474E-05 300 0.166E-02 0.900E-03
DAV: 25 -0.383470136524E+03 -0.19616E-02 -0.11236E-04 282 0.193E-02 0.131E-02
DAV: 26 -0.383470634560E+03 -0.49804E-03 -0.15581E-05 255 0.842E-03 0.559E-03
DAV: 27 -0.383470965977E+03 -0.33142E-03 -0.12820E-05 228 0.720E-03 0.380E-03
DAV: 28 -0.383471157094E+03 -0.19112E-03 -0.61336E-06 219 0.537E-03 0.376E-03
DAV: 29 -0.383471226594E+03 -0.69500E-04 -0.27426E-06 237 0.369E-03 0.148E-03
DAV: 30 -0.383471274470E+03 -0.47875E-04 -0.17597E-06 210 0.277E-03 0.142E-03
DAV: 31 -0.383471305662E+03 -0.31193E-04 -0.11612E-06 210 0.199E-03 0.102E-03
DAV: 32 -0.383471316829E+03 -0.11166E-04 -0.55690E-07 228 0.139E-03 0.387E-04
DAV: 33 -0.383471324490E+03 -0.76610E-05 -0.32248E-07 210 0.108E-03
1 F= -.38347132E+03 E0= -.38348807E+03 d E =0.502236E-01