./iterations/neb0_image08_iter8_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145328886814E+04 0.14533E+04 -0.44262E+04 330 0.697E+02
DAV: 2 0.230355611287E+03 -0.12229E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.360332184276E+03 -0.59069E+03 -0.58730E+03 345 0.114E+02
DAV: 4 -0.432616464148E+03 -0.72284E+02 -0.71995E+02 318 0.513E+01
DAV: 5 -0.434261897632E+03 -0.16454E+01 -0.16426E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388411395464E+03 0.45851E+02 -0.14709E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.384936009556E+03 0.34754E+01 -0.13115E+01 336 0.786E+00 0.104E+01
DAV: 8 -0.383505500445E+03 0.14305E+01 -0.26313E+00 345 0.396E+00 0.434E+00
DAV: 9 -0.382970247782E+03 0.53525E+00 -0.12835E+00 345 0.229E+00 0.135E+00
DAV: 10 -0.382881069281E+03 0.89179E-01 -0.26462E-01 327 0.117E+00 0.103E+00
DAV: 11 -0.382866000841E+03 0.15068E-01 -0.28355E-01 354 0.751E-01 0.808E-01
DAV: 12 -0.382842574802E+03 0.23426E-01 -0.46109E-02 327 0.429E-01 0.702E-01
DAV: 13 -0.382835567005E+03 0.70078E-02 -0.17617E-02 363 0.447E-01 0.814E-01
DAV: 14 -0.382818590794E+03 0.16976E-01 -0.27298E-02 327 0.559E-01 0.777E-01
DAV: 15 -0.382812289616E+03 0.63012E-02 -0.66699E-02 327 0.380E-01 0.219E-01
DAV: 16 -0.382816143194E+03 -0.38536E-02 -0.62888E-03 291 0.236E-01 0.213E-01
DAV: 17 -0.382823693808E+03 -0.75506E-02 -0.63009E-03 318 0.208E-01 0.233E-01
DAV: 18 -0.382829373800E+03 -0.56800E-02 -0.35174E-03 309 0.153E-01 0.907E-02
DAV: 19 -0.382841624040E+03 -0.12250E-01 -0.26493E-03 300 0.149E-01 0.956E-02
DAV: 20 -0.382848656258E+03 -0.70322E-02 -0.10304E-03 318 0.863E-02 0.401E-02
DAV: 21 -0.382854225598E+03 -0.55693E-02 -0.26849E-04 318 0.407E-02 0.275E-02
DAV: 22 -0.382859121660E+03 -0.48961E-02 -0.20870E-04 282 0.293E-02 0.168E-02
DAV: 23 -0.382862406937E+03 -0.32853E-02 -0.15385E-04 300 0.226E-02 0.124E-02
DAV: 24 -0.382864528562E+03 -0.21216E-02 -0.11255E-04 291 0.181E-02 0.170E-02
DAV: 25 -0.382865330009E+03 -0.80145E-03 -0.33838E-05 282 0.117E-02 0.482E-03
DAV: 26 -0.382865648220E+03 -0.31821E-03 -0.10090E-05 219 0.740E-03 0.410E-03
DAV: 27 -0.382865831242E+03 -0.18302E-03 -0.54742E-06 219 0.453E-03 0.352E-03
DAV: 28 -0.382865934233E+03 -0.10299E-03 -0.34855E-06 210 0.386E-03 0.190E-03
DAV: 29 -0.382865985640E+03 -0.51407E-04 -0.22880E-06 201 0.314E-03 0.144E-03
DAV: 30 -0.382866000979E+03 -0.15339E-04 -0.93836E-07 228 0.239E-03 0.215E-03
DAV: 31 -0.382866017748E+03 -0.16769E-04 -0.96158E-07 201 0.261E-03 0.108E-03
DAV: 32 -0.382866024568E+03 -0.68206E-05 -0.35134E-07 219 0.166E-03
1 F= -.38286602E+03 E0= -.38288277E+03 d E =0.502498E-01