iterations/neb0_image07_iter20_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 0.145171570945E+04 0.14517E+04 -0.44240E+04 330 0.697E+02
DAV: 2 0.228323810490E+03 -0.12234E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.361392205242E+03 -0.58972E+03 -0.58626E+03 345 0.114E+02
DAV: 4 -0.432961145828E+03 -0.71569E+02 -0.71302E+02 318 0.511E+01
DAV: 5 -0.434578771542E+03 -0.16176E+01 -0.16150E+01 318 0.791E+00 0.427E+01
DAV: 6 -0.388770274475E+03 0.45808E+02 -0.14750E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385307313829E+03 0.34630E+01 -0.12996E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383846029883E+03 0.14613E+01 -0.18069E+00 345 0.378E+00 0.424E+00
DAV: 9 -0.383300231386E+03 0.54580E+00 -0.89497E-01 336 0.208E+00 0.100E+00
DAV: 10 -0.383244303837E+03 0.55928E-01 -0.12505E-01 336 0.910E-01 0.856E-01
DAV: 11 -0.383219607171E+03 0.24697E-01 -0.14980E-01 345 0.602E-01 0.768E-01
DAV: 12 -0.383200132100E+03 0.19475E-01 -0.12677E-01 336 0.514E-01 0.913E-01
DAV: 13 -0.383185435258E+03 0.14697E-01 -0.18363E-01 354 0.449E-01 0.413E-01
DAV: 14 -0.383175377046E+03 0.10058E-01 -0.22296E-02 318 0.406E-01 0.330E-01
DAV: 15 -0.383176469904E+03 -0.10929E-02 -0.14397E-02 309 0.307E-01 0.168E-01
DAV: 16 -0.383184603344E+03 -0.81334E-02 -0.47086E-03 300 0.251E-01 0.147E-01
DAV: 17 -0.383197715242E+03 -0.13112E-01 -0.67160E-03 300 0.245E-01 0.150E-01
DAV: 18 -0.383204988829E+03 -0.72736E-02 -0.20607E-03 327 0.126E-01 0.923E-02
DAV: 19 -0.383210579983E+03 -0.55912E-02 -0.42322E-04 309 0.509E-02 0.707E-02
DAV: 20 -0.383217779867E+03 -0.71999E-02 -0.55817E-04 309 0.484E-02 0.250E-02
DAV: 21 -0.383222639176E+03 -0.48593E-02 -0.32443E-04 336 0.364E-02 0.337E-02
DAV: 22 -0.383225755484E+03 -0.31163E-02 -0.16111E-04 309 0.258E-02 0.174E-02
DAV: 23 -0.383227450642E+03 -0.16952E-02 -0.85240E-05 300 0.175E-02 0.877E-03
DAV: 24 -0.383228358781E+03 -0.90814E-03 -0.32912E-05 246 0.119E-02 0.476E-03
DAV: 25 -0.383228735436E+03 -0.37665E-03 -0.14311E-05 219 0.853E-03 0.387E-03
DAV: 26 -0.383228855302E+03 -0.11987E-03 -0.42424E-06 246 0.506E-03 0.295E-03
DAV: 27 -0.383229020056E+03 -0.16475E-03 -0.68266E-06 201 0.612E-03 0.198E-03
DAV: 28 -0.383229053842E+03 -0.33785E-04 -0.23035E-06 228 0.339E-03 0.125E-03
DAV: 29 -0.383229103405E+03 -0.49563E-04 -0.21141E-06 192 0.271E-03 0.953E-04
DAV: 30 -0.383229116932E+03 -0.13527E-04 -0.74623E-07 219 0.181E-03 0.784E-04
DAV: 31 -0.383229130339E+03 -0.13407E-04 -0.52750E-07 219 0.133E-03 0.560E-04
DAV: 32 -0.383229136837E+03 -0.64975E-05 -0.28024E-07 219 0.115E-03
1 F= -.38322914E+03 E0= -.38324223E+03 d E =0.392746E-01