iterations/neb0_image04_iter35_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 0.144846469022E+04 0.14485E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.227816881603E+03 -0.12206E+04 -0.11440E+04 426 0.163E+02
DAV: 3 -0.365022947793E+03 -0.59284E+03 -0.58949E+03 354 0.114E+02
DAV: 4 -0.433348112392E+03 -0.68325E+02 -0.68081E+02 309 0.495E+01
DAV: 5 -0.434877139786E+03 -0.15290E+01 -0.15264E+01 336 0.762E+00 0.427E+01
DAV: 6 -0.388947545676E+03 0.45930E+02 -0.14871E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385480333255E+03 0.34672E+01 -0.13153E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383999837925E+03 0.14805E+01 -0.19262E+00 336 0.380E+00 0.433E+00
DAV: 9 -0.383486349275E+03 0.51349E+00 -0.17460E+00 336 0.230E+00 0.120E+00
DAV: 10 -0.383405221553E+03 0.81128E-01 -0.15696E-01 318 0.100E+00 0.917E-01
DAV: 11 -0.383374799156E+03 0.30422E-01 -0.12879E-01 336 0.672E-01 0.852E-01
DAV: 12 -0.383351158908E+03 0.23640E-01 -0.11109E-01 354 0.600E-01 0.985E-01
DAV: 13 -0.383339665429E+03 0.11493E-01 -0.24355E-01 408 0.541E-01 0.554E-01
DAV: 14 -0.383325487754E+03 0.14178E-01 -0.16936E-02 309 0.385E-01 0.364E-01
DAV: 15 -0.383324356119E+03 0.11316E-02 -0.21578E-02 327 0.292E-01 0.496E-01
DAV: 16 -0.383325239712E+03 -0.88359E-03 -0.10767E-02 309 0.243E-01 0.229E-01
DAV: 17 -0.383335686174E+03 -0.10446E-01 -0.90817E-03 282 0.245E-01 0.193E-01
DAV: 18 -0.383344557521E+03 -0.88713E-02 -0.28909E-03 336 0.166E-01 0.879E-02
DAV: 19 -0.383352849335E+03 -0.82918E-02 -0.14135E-03 300 0.997E-02 0.758E-02
DAV: 20 -0.383361006740E+03 -0.81574E-02 -0.72122E-04 336 0.749E-02 0.404E-02
DAV: 21 -0.383367015435E+03 -0.60087E-02 -0.59936E-04 318 0.494E-02 0.572E-02
DAV: 22 -0.383371011195E+03 -0.39958E-02 -0.19104E-04 300 0.285E-02 0.318E-02
DAV: 23 -0.383373942230E+03 -0.29310E-02 -0.27016E-04 300 0.281E-02 0.265E-02
DAV: 24 -0.383375023583E+03 -0.10814E-02 -0.56989E-05 291 0.143E-02 0.772E-03
DAV: 25 -0.383375996838E+03 -0.97326E-03 -0.54930E-05 273 0.131E-02 0.809E-03
DAV: 26 -0.383376247450E+03 -0.25061E-03 -0.57221E-06 237 0.618E-03 0.652E-03
DAV: 27 -0.383376408870E+03 -0.16142E-03 -0.73104E-06 201 0.599E-03 0.225E-03
DAV: 28 -0.383376475456E+03 -0.66586E-04 -0.22314E-06 228 0.344E-03 0.228E-03
DAV: 29 -0.383376559153E+03 -0.83696E-04 -0.29747E-06 201 0.339E-03 0.271E-03
DAV: 30 -0.383376591529E+03 -0.32377E-04 -0.18169E-06 228 0.232E-03 0.106E-03
DAV: 31 -0.383376604432E+03 -0.12903E-04 -0.63290E-07 228 0.170E-03 0.762E-04
DAV: 32 -0.383376619739E+03 -0.15307E-04 -0.68290E-07 210 0.158E-03 0.618E-04
DAV: 33 -0.383376623107E+03 -0.33687E-05 -0.20406E-07 228 0.100E-03
1 F= -.38337662E+03 E0= -.38339323E+03 d E =0.498114E-01