iterations/neb0_image07_iter40_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 0.139869208384E+04 0.13987E+04 -0.41716E+04 312 0.696E+02
DAV: 2 0.269980717382E+03 -0.11287E+04 -0.10698E+04 408 0.158E+02
DAV: 3 -0.272612507094E+03 -0.54259E+03 -0.52802E+03 372 0.111E+02
DAV: 4 -0.345176007398E+03 -0.72564E+02 -0.68736E+02 309 0.447E+01
DAV: 5 -0.347349105466E+03 -0.21731E+01 -0.21585E+01 327 0.811E+00 0.453E+01
DAV: 6 -0.382997215314E+03 -0.35648E+02 -0.41114E+02 318 0.347E+01 0.564E+01
DAV: 7 -0.325647302495E+03 0.57350E+02 -0.17578E+02 318 0.146E+01 0.307E+01
DAV: 8 -0.297332866097E+03 0.28314E+02 -0.46704E+01 309 0.103E+01 0.259E+01
DAV: 9 -0.311696655792E+03 -0.14364E+02 -0.18837E+02 327 0.709E+00 0.311E+01
DAV: 10 -0.310372672495E+03 0.13240E+01 -0.68351E+01 300 0.591E+00 0.255E+01
DAV: 11 -0.299817603633E+03 0.10555E+02 -0.26209E+01 336 0.473E+00 0.211E+01
DAV: 12 -0.299533792560E+03 0.28381E+00 -0.26755E+01 309 0.322E+00 0.228E+01
DAV: 13 -0.301209727743E+03 -0.16759E+01 -0.27902E+01 327 0.372E+00 0.298E+01
DAV: 14 -0.295310533106E+03 0.58992E+01 -0.91891E+00 327 0.252E+00 0.166E+01
DAV: 15 -0.295897117573E+03 -0.58658E+00 -0.56964E+00 300 0.137E+00 0.197E+01
DAV: 16 -0.296734633782E+03 -0.83752E+00 -0.44898E+00 318 0.152E+00 0.184E+01
DAV: 17 -0.296017359346E+03 0.71727E+00 -0.23071E-01 291 0.654E-01 0.175E+01
DAV: 18 -0.295826113422E+03 0.19125E+00 -0.85348E+00 336 0.924E-01 0.227E+01
DAV: 19 -0.295058363210E+03 0.76775E+00 -0.18273E+00 300 0.801E-01 0.169E+01
DAV: 20 -0.294132033804E+03 0.92633E+00 -0.10063E+00 318 0.504E-01 0.112E+01
DAV: 21 -0.294043476017E+03 0.88558E-01 -0.66746E-01 291 0.320E-01 0.408E+00
DAV: 22 -0.294071240560E+03 -0.27765E-01 -0.20542E-01 336 0.243E-01 0.338E+00
DAV: 23 -0.294230088872E+03 -0.15885E+00 -0.49238E-01 318 0.416E-01 0.120E+01
DAV: 24 -0.294071028236E+03 0.15906E+00 -0.43970E-01 309 0.317E-01 0.772E+00
DAV: 25 -0.294050992578E+03 0.20036E-01 -0.72952E-01 282 0.262E-01 0.187E+00
DAV: 26 -0.294159229080E+03 -0.10824E+00 -0.82698E-02 300 0.249E-01 0.873E+00
DAV: 27 -0.294102116565E+03 0.57113E-01 -0.74096E-02 300 0.213E-01 0.735E+00
DAV: 28 -0.294173663039E+03 -0.71546E-01 -0.12707E+00 300 0.288E-01 0.999E+00
DAV: 29 -0.294079115951E+03 0.94547E-01 -0.21984E-01 300 0.264E-01 0.446E+00
DAV: 30 -0.294094616245E+03 -0.15500E-01 -0.73154E-02 291 0.228E-01 0.173E+00
DAV: 31 -0.294134672077E+03 -0.40056E-01 -0.21806E-01 318 0.121E-01 0.622E+00
DAV: 32 -0.294094923956E+03 0.39748E-01 -0.12592E-01 300 0.108E-01 0.184E+00
DAV: 33 -0.294110257289E+03 -0.15333E-01 -0.22241E-03 309 0.925E-02 0.763E-01
DAV: 34 -0.294119907268E+03 -0.96500E-02 -0.15094E-03 309 0.656E-02 0.705E-01
DAV: 35 -0.294130137370E+03 -0.10230E-01 -0.24970E-03 309 0.608E-02 0.910E-01
DAV: 36 -0.294134134125E+03 -0.39968E-02 -0.78885E-04 318 0.506E-02 0.921E-01
DAV: 37 -0.294135721882E+03 -0.15878E-02 -0.93980E-04 309 0.381E-02 0.173E-01
DAV: 38 -0.294138207941E+03 -0.24861E-02 -0.20826E-04 300 0.275E-02 0.169E-01
DAV: 39 -0.294139539615E+03 -0.13317E-02 -0.11610E-04 255 0.139E-02 0.460E-01
DAV: 40 -0.294140597264E+03 -0.10576E-02 -0.85989E-05 264 0.178E-02 0.423E-01
DAV: 41 -0.294141165712E+03 -0.56845E-03 -0.19105E-04 255 0.102E-02 0.237E-01
DAV: 42 -0.294141757302E+03 -0.59159E-03 -0.43061E-05 237 0.135E-02 0.110E-01
DAV: 43 -0.294142007784E+03 -0.25048E-03 -0.20088E-05 246 0.574E-03 0.368E-02
DAV: 44 -0.294142221842E+03 -0.21406E-03 -0.90655E-06 228 0.477E-03 0.739E-02
DAV: 45 -0.294142362764E+03 -0.14092E-03 -0.10686E-05 219 0.388E-03 0.130E-01
DAV: 46 -0.294142413095E+03 -0.50332E-04 -0.74022E-06 228 0.438E-03 0.120E-02
DAV: 47 -0.294142453669E+03 -0.40573E-04 -0.16092E-06 201 0.244E-03 0.259E-02
DAV: 48 -0.294142480712E+03 -0.27044E-04 -0.12888E-06 201 0.175E-03 0.380E-03
DAV: 49 -0.294142502573E+03 -0.21861E-04 -0.93473E-07 201 0.136E-03 0.249E-02
DAV: 50 -0.294142514227E+03 -0.11654E-04 -0.68132E-07 192 0.111E-03 0.189E-02
DAV: 51 -0.294142521068E+03 -0.68407E-05 -0.57117E-07 201 0.838E-04
1 F= -.29414252E+03 E0= -.29398373E+03 d E =-.476381E+00