iterations/neb0_image01_iter12_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 0.144725985326E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224169021477E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363089874548E+03 -0.58726E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433520425820E+03 -0.70431E+02 -0.70155E+02 318 0.508E+01
DAV: 5 -0.435092501879E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102816117E+03 0.45990E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628882090E+03 0.34739E+01 -0.13524E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384151206299E+03 0.14777E+01 -0.21026E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383608447444E+03 0.54276E+00 -0.17087E+00 336 0.241E+00 0.138E+00
DAV: 10 -0.383542706025E+03 0.65741E-01 -0.33834E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383516996517E+03 0.25710E-01 -0.24125E-01 345 0.643E-01 0.988E-01
DAV: 12 -0.383492867115E+03 0.24129E-01 -0.24296E-01 327 0.700E-01 0.884E-01
DAV: 13 -0.383477940210E+03 0.14927E-01 -0.17269E-01 354 0.539E-01 0.729E-01
DAV: 14 -0.383464528056E+03 0.13412E-01 -0.31653E-02 354 0.394E-01 0.387E-01
DAV: 15 -0.383461972966E+03 0.25551E-02 -0.14926E-02 309 0.376E-01 0.262E-01
DAV: 16 -0.383467480476E+03 -0.55075E-02 -0.82421E-03 336 0.261E-01 0.205E-01
DAV: 17 -0.383474759667E+03 -0.72792E-02 -0.27195E-03 291 0.167E-01 0.165E-01
DAV: 18 -0.383483106988E+03 -0.83473E-02 -0.30292E-03 363 0.179E-01 0.142E-01
DAV: 19 -0.383492931272E+03 -0.98243E-02 -0.66977E-03 363 0.195E-01 0.241E-01
DAV: 20 -0.383492731880E+03 0.19939E-03 -0.15322E-03 327 0.904E-02 0.129E-01
DAV: 21 -0.383495920840E+03 -0.31890E-02 -0.53655E-04 309 0.518E-02 0.128E-01
DAV: 22 -0.383501631180E+03 -0.57103E-02 -0.59174E-04 309 0.606E-02 0.619E-02
DAV: 23 -0.383506021392E+03 -0.43902E-02 -0.24534E-04 336 0.400E-02 0.570E-02
DAV: 24 -0.383509230873E+03 -0.32095E-02 -0.15842E-04 291 0.301E-02 0.225E-02
DAV: 25 -0.383511216860E+03 -0.19860E-02 -0.12356E-04 327 0.231E-02 0.169E-02
DAV: 26 -0.383512114641E+03 -0.89778E-03 -0.34117E-05 300 0.138E-02 0.156E-02
DAV: 27 -0.383512688574E+03 -0.57393E-03 -0.16458E-05 237 0.898E-03 0.106E-02
DAV: 28 -0.383513306846E+03 -0.61827E-03 -0.38801E-05 282 0.115E-02 0.671E-03
DAV: 29 -0.383513540029E+03 -0.23318E-03 -0.70547E-06 228 0.641E-03 0.529E-03
DAV: 30 -0.383513620058E+03 -0.80030E-04 -0.51118E-06 228 0.441E-03 0.304E-03
DAV: 31 -0.383513666183E+03 -0.46125E-04 -0.18010E-06 201 0.336E-03 0.368E-03
DAV: 32 -0.383513728010E+03 -0.61827E-04 -0.24910E-06 210 0.315E-03 0.281E-03
DAV: 33 -0.383513745407E+03 -0.17397E-04 -0.10708E-06 228 0.232E-03 0.138E-03
DAV: 34 -0.383513755450E+03 -0.10043E-04 -0.82164E-07 210 0.218E-03 0.176E-03
DAV: 35 -0.383513764988E+03 -0.95380E-05 -0.36981E-07 210 0.131E-03
1 F= -.38351376E+03 E0= -.38353043E+03 d E =0.499958E-01