iterations/neb0_image03_iter1_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 0.161840568267E+04 0.16184E+04 -0.42274E+04 306 0.697E+02
DAV: 2 0.297555604868E+03 -0.13209E+04 -0.12435E+04 420 0.168E+02
DAV: 3 -0.357371107962E+03 -0.65493E+03 -0.65132E+03 364 0.123E+02
DAV: 4 -0.433410877356E+03 -0.76040E+02 -0.75721E+02 316 0.521E+01
DAV: 5 -0.435148569555E+03 -0.17377E+01 -0.17355E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389094410945E+03 0.46054E+02 -0.15142E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385599373000E+03 0.34950E+01 -0.12344E+01 340 0.766E+00 0.104E+01
DAV: 8 -0.384156446428E+03 0.14429E+01 -0.23095E+00 332 0.380E+00 0.427E+00
DAV: 9 -0.383578815634E+03 0.57763E+00 -0.74090E-01 324 0.203E+00 0.105E+00
DAV: 10 -0.383523376303E+03 0.55439E-01 -0.13402E-01 340 0.860E-01 0.785E-01
DAV: 11 -0.383505637046E+03 0.17739E-01 -0.94058E-02 324 0.471E-01 0.594E-01
DAV: 12 -0.383485656140E+03 0.19981E-01 -0.17411E-02 316 0.364E-01 0.398E-01
DAV: 13 -0.383479802660E+03 0.58535E-02 -0.10031E-01 316 0.449E-01 0.710E-01
DAV: 14 -0.383475799975E+03 0.40027E-02 -0.10933E-01 332 0.352E-01 0.333E-01
DAV: 15 -0.383481704471E+03 -0.59045E-02 -0.20835E-02 300 0.224E-01 0.236E-01
DAV: 16 -0.383489324866E+03 -0.76204E-02 -0.58577E-03 292 0.176E-01 0.108E-01
DAV: 17 -0.383503115974E+03 -0.13791E-01 -0.36612E-03 292 0.150E-01 0.837E-02
DAV: 18 -0.383514851499E+03 -0.11736E-01 -0.30415E-03 316 0.119E-01 0.781E-02
DAV: 19 -0.383521980178E+03 -0.71287E-02 -0.63509E-04 324 0.589E-02 0.480E-02
DAV: 20 -0.383528020426E+03 -0.60402E-02 -0.33757E-04 308 0.409E-02 0.270E-02
DAV: 21 -0.383532938375E+03 -0.49179E-02 -0.31501E-04 308 0.321E-02 0.240E-02
DAV: 22 -0.383534882073E+03 -0.19437E-02 -0.88327E-05 292 0.190E-02 0.102E-02
DAV: 23 -0.383536267080E+03 -0.13850E-02 -0.78832E-05 300 0.183E-02 0.913E-03
DAV: 24 -0.383536647463E+03 -0.38038E-03 -0.13730E-05 236 0.890E-03 0.583E-03
DAV: 25 -0.383537019824E+03 -0.37236E-03 -0.28410E-05 244 0.124E-02 0.703E-03
DAV: 26 -0.383537127756E+03 -0.10793E-03 -0.40754E-06 236 0.557E-03 0.345E-03
DAV: 27 -0.383537204508E+03 -0.76753E-04 -0.41751E-06 204 0.474E-03 0.187E-03
DAV: 28 -0.383537256244E+03 -0.51736E-04 -0.12484E-06 220 0.246E-03 0.158E-03
DAV: 29 -0.383537292923E+03 -0.36679E-04 -0.11466E-06 212 0.229E-03 0.108E-03
DAV: 30 -0.383537311073E+03 -0.18150E-04 -0.91203E-07 220 0.199E-03 0.836E-04
DAV: 31 -0.383537315951E+03 -0.48785E-05 -0.20663E-07 228 0.137E-03
1 F= -.38353732E+03 E0= -.38355014E+03 d E =0.384822E-01