iterations/neb0_image04_iter5_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 0.144957779194E+04 0.14496E+04 -0.44200E+04 330 0.697E+02
DAV: 2 0.225433116262E+03 -0.12241E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362299085023E+03 -0.58773E+03 -0.58439E+03 345 0.114E+02
DAV: 4 -0.433289581041E+03 -0.70990E+02 -0.70729E+02 318 0.509E+01
DAV: 5 -0.434877934772E+03 -0.15884E+01 -0.15859E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389014124007E+03 0.45864E+02 -0.14755E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385565791281E+03 0.34483E+01 -0.13533E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384105849840E+03 0.14599E+01 -0.22462E+00 327 0.387E+00 0.435E+00
DAV: 9 -0.383564439769E+03 0.54141E+00 -0.16432E+00 327 0.243E+00 0.131E+00
DAV: 10 -0.383484971093E+03 0.79469E-01 -0.17044E-01 327 0.113E+00 0.917E-01
DAV: 11 -0.383451836729E+03 0.33134E-01 -0.88594E-02 345 0.753E-01 0.681E-01
DAV: 12 -0.383434350362E+03 0.17486E-01 -0.20039E-02 336 0.520E-01 0.669E-01
DAV: 13 -0.383427900366E+03 0.64500E-02 -0.11134E-01 336 0.370E-01 0.721E-01
DAV: 14 -0.383418766593E+03 0.91338E-02 -0.98324E-02 318 0.476E-01 0.649E-01
DAV: 15 -0.383413276783E+03 0.54898E-02 -0.20245E-02 327 0.383E-01 0.264E-01
DAV: 16 -0.383418044726E+03 -0.47679E-02 -0.69941E-03 309 0.244E-01 0.150E-01
DAV: 17 -0.383427737752E+03 -0.96930E-02 -0.78811E-03 345 0.208E-01 0.257E-01
DAV: 18 -0.383436531738E+03 -0.87940E-02 -0.71072E-03 345 0.198E-01 0.153E-01
DAV: 19 -0.383439548287E+03 -0.30165E-02 -0.16460E-03 318 0.101E-01 0.131E-01
DAV: 20 -0.383445506781E+03 -0.59585E-02 -0.13437E-03 300 0.833E-02 0.461E-02
DAV: 21 -0.383451005256E+03 -0.54985E-02 -0.41772E-04 336 0.523E-02 0.354E-02
DAV: 22 -0.383457947082E+03 -0.69418E-02 -0.50860E-04 309 0.468E-02 0.443E-02
DAV: 23 -0.383461506257E+03 -0.35592E-02 -0.20040E-04 309 0.319E-02 0.284E-02
DAV: 24 -0.383462496716E+03 -0.99046E-03 -0.48110E-05 309 0.159E-02 0.239E-02
DAV: 25 -0.383463699028E+03 -0.12023E-02 -0.10138E-04 318 0.238E-02 0.156E-02
DAV: 26 -0.383464382689E+03 -0.68366E-03 -0.29119E-05 309 0.120E-02 0.200E-02
DAV: 27 -0.383464831236E+03 -0.44855E-03 -0.16433E-05 264 0.899E-03 0.846E-03
DAV: 28 -0.383465210656E+03 -0.37942E-03 -0.22257E-05 246 0.909E-03 0.345E-03
DAV: 29 -0.383465320600E+03 -0.10994E-03 -0.30808E-06 237 0.397E-03 0.317E-03
DAV: 30 -0.383465442626E+03 -0.12203E-03 -0.37914E-06 201 0.393E-03 0.196E-03
DAV: 31 -0.383465484185E+03 -0.41559E-04 -0.17931E-06 228 0.263E-03 0.152E-03
DAV: 32 -0.383465512993E+03 -0.28808E-04 -0.11570E-06 210 0.263E-03 0.158E-03
DAV: 33 -0.383465525124E+03 -0.12131E-04 -0.78481E-07 228 0.211E-03 0.960E-04
DAV: 34 -0.383465530136E+03 -0.50125E-05 -0.30308E-07 228 0.125E-03
1 F= -.38346553E+03 E0= -.38348231E+03 d E =0.503367E-01