iterations/neb0_image08_iter9_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151168854902E+04 0.15117E+04 -0.43579E+04 322 0.697E+02
DAV: 2 0.253856380501E+03 -0.12578E+04 -0.11798E+04 420 0.164E+02
DAV: 3 -0.354651804403E+03 -0.60851E+03 -0.60424E+03 348 0.117E+02
DAV: 4 -0.432948565135E+03 -0.78297E+02 -0.77951E+02 308 0.535E+01
DAV: 5 -0.434788225463E+03 -0.18397E+01 -0.18364E+01 332 0.825E+00 0.428E+01
DAV: 6 -0.388544009428E+03 0.46244E+02 -0.14903E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.384993639488E+03 0.35504E+01 -0.13047E+01 340 0.783E+00 0.104E+01
DAV: 8 -0.383560719637E+03 0.14329E+01 -0.22964E+00 324 0.394E+00 0.425E+00
DAV: 9 -0.383009772408E+03 0.55095E+00 -0.61783E-01 324 0.194E+00 0.968E-01
DAV: 10 -0.382953430852E+03 0.56342E-01 -0.14253E-01 340 0.956E-01 0.732E-01
DAV: 11 -0.382933828695E+03 0.19602E-01 -0.26547E-02 364 0.494E-01 0.537E-01
DAV: 12 -0.382922181756E+03 0.11647E-01 -0.32663E-02 308 0.327E-01 0.388E-01
DAV: 13 -0.382915409588E+03 0.67722E-02 -0.40267E-02 308 0.366E-01 0.508E-01
DAV: 14 -0.382914173195E+03 0.12364E-02 -0.24413E-02 324 0.292E-01 0.235E-01
DAV: 15 -0.382917759612E+03 -0.35864E-02 -0.15104E-02 292 0.232E-01 0.205E-01
DAV: 16 -0.382927703645E+03 -0.99440E-02 -0.97805E-03 292 0.173E-01 0.145E-01
DAV: 17 -0.382939872486E+03 -0.12169E-01 -0.39256E-03 292 0.189E-01 0.136E-01
DAV: 18 -0.382945394754E+03 -0.55223E-02 -0.22920E-03 324 0.133E-01 0.945E-02
DAV: 19 -0.382947509777E+03 -0.21150E-02 -0.60078E-04 364 0.656E-02 0.889E-02
DAV: 20 -0.382948965658E+03 -0.14559E-02 -0.17136E-04 308 0.390E-02 0.887E-02
DAV: 21 -0.382955134799E+03 -0.61691E-02 -0.45137E-03 380 0.156E-01 0.146E-01
DAV: 22 -0.382954849931E+03 0.28487E-03 -0.33766E-03 284 0.755E-02 0.455E-02
DAV: 23 -0.382958248559E+03 -0.33986E-02 -0.40592E-04 308 0.454E-02 0.295E-02
DAV: 24 -0.382964246463E+03 -0.59979E-02 -0.26804E-03 308 0.948E-02 0.137E-01
DAV: 25 -0.382964795029E+03 -0.54857E-03 -0.97905E-04 316 0.485E-02 0.380E-02
DAV: 26 -0.382966297288E+03 -0.15023E-02 -0.26752E-04 300 0.277E-02 0.154E-02
DAV: 27 -0.382967239885E+03 -0.94260E-03 -0.51594E-05 292 0.180E-02 0.161E-02
DAV: 28 -0.382967954522E+03 -0.71464E-03 -0.38444E-05 276 0.131E-02 0.100E-02
DAV: 29 -0.382968212456E+03 -0.25793E-03 -0.11194E-05 220 0.941E-03 0.150E-02
DAV: 30 -0.382968409956E+03 -0.19750E-03 -0.13029E-05 220 0.789E-03 0.900E-03
DAV: 31 -0.382968501137E+03 -0.91181E-04 -0.14841E-05 228 0.892E-03 0.357E-03
DAV: 32 -0.382968528200E+03 -0.27063E-04 -0.40344E-06 228 0.533E-03 0.383E-03
DAV: 33 -0.382968561395E+03 -0.33195E-04 -0.17815E-06 196 0.293E-03 0.456E-03
DAV: 34 -0.382968583070E+03 -0.21675E-04 -0.11278E-06 228 0.265E-03 0.379E-03
DAV: 35 -0.382968592601E+03 -0.95302E-05 -0.47891E-07 228 0.162E-03
1 F= -.38296859E+03 E0= -.38298613E+03 d E =0.526150E-01