iterations/neb0_image02_iter32_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 0.144772924867E+04 0.14477E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224311159790E+03 -0.12234E+04 -0.11467E+04 435 0.163E+02
DAV: 3 -0.362849123214E+03 -0.58716E+03 -0.58402E+03 345 0.114E+02
DAV: 4 -0.433420642083E+03 -0.70572E+02 -0.70334E+02 309 0.508E+01
DAV: 5 -0.435004652959E+03 -0.15840E+01 -0.15814E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389075601346E+03 0.45929E+02 -0.14797E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385608879786E+03 0.34667E+01 -0.13343E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384133605998E+03 0.14753E+01 -0.20450E+00 327 0.380E+00 0.429E+00
DAV: 9 -0.383591156928E+03 0.54245E+00 -0.14973E+00 345 0.237E+00 0.134E+00
DAV: 10 -0.383536169364E+03 0.54988E-01 -0.44986E-01 318 0.115E+00 0.987E-01
DAV: 11 -0.383496847261E+03 0.39322E-01 -0.92758E-02 336 0.639E-01 0.740E-01
DAV: 12 -0.383485378304E+03 0.11469E-01 -0.86866E-02 354 0.710E-01 0.963E-01
DAV: 13 -0.383464259663E+03 0.21119E-01 -0.14810E-01 363 0.522E-01 0.610E-01
DAV: 14 -0.383453919657E+03 0.10340E-01 -0.44799E-02 318 0.380E-01 0.283E-01
DAV: 15 -0.383451918501E+03 0.20012E-02 -0.12906E-02 309 0.369E-01 0.233E-01
DAV: 16 -0.383458293537E+03 -0.63750E-02 -0.61525E-03 336 0.246E-01 0.297E-01
DAV: 17 -0.383464932073E+03 -0.66385E-02 -0.23693E-03 300 0.164E-01 0.155E-01
DAV: 18 -0.383476721767E+03 -0.11790E-01 -0.43758E-03 318 0.182E-01 0.170E-01
DAV: 19 -0.383483551246E+03 -0.68295E-02 -0.14168E-03 345 0.112E-01 0.840E-02
DAV: 20 -0.383492710399E+03 -0.91592E-02 -0.10227E-03 309 0.945E-02 0.499E-02
DAV: 21 -0.383495638357E+03 -0.29280E-02 -0.26262E-04 354 0.466E-02 0.448E-02
DAV: 22 -0.383497367445E+03 -0.17291E-02 -0.88991E-05 336 0.287E-02 0.327E-02
DAV: 23 -0.383498528877E+03 -0.11614E-02 -0.56767E-05 345 0.229E-02 0.392E-02
DAV: 24 -0.383498033704E+03 0.49517E-03 -0.62248E-05 327 0.271E-02 0.382E-02
DAV: 25 -0.383499128705E+03 -0.10950E-02 -0.11434E-04 345 0.277E-02 0.280E-02
DAV: 26 -0.383501704033E+03 -0.25753E-02 -0.30883E-04 354 0.533E-02 0.245E-02
DAV: 27 -0.383502834920E+03 -0.11309E-02 -0.26319E-04 345 0.392E-02 0.234E-02
DAV: 28 -0.383503501600E+03 -0.66668E-03 -0.80163E-05 354 0.259E-02 0.334E-02
DAV: 29 -0.383503621009E+03 -0.11941E-03 -0.20527E-05 291 0.142E-02 0.316E-02
DAV: 30 -0.383503672629E+03 -0.51620E-04 -0.89308E-06 264 0.117E-02 0.300E-02
DAV: 31 -0.383503976280E+03 -0.30365E-03 -0.90948E-05 372 0.378E-02 0.266E-02
DAV: 32 -0.383504217803E+03 -0.24152E-03 -0.16935E-04 372 0.345E-02 0.299E-02
DAV: 33 -0.383504260735E+03 -0.42932E-04 -0.54022E-05 318 0.178E-02 0.339E-02
DAV: 34 -0.383504270484E+03 -0.97485E-05 -0.10026E-05 282 0.572E-03
1 F= -.38350427E+03 E0= -.38351775E+03 d E =0.404384E-01