iterations/neb0_image02_iter75_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 0.145055236103E+04 0.14506E+04 -0.44197E+04 330 0.697E+02
DAV: 2 0.225449166483E+03 -0.12251E+04 -0.11487E+04 435 0.163E+02
DAV: 3 -0.362691090488E+03 -0.58814E+03 -0.58489E+03 354 0.114E+02
DAV: 4 -0.433232040957E+03 -0.70541E+02 -0.70313E+02 309 0.503E+01
DAV: 5 -0.434797653655E+03 -0.15656E+01 -0.15628E+01 327 0.769E+00 0.427E+01
DAV: 6 -0.388426300968E+03 0.46371E+02 -0.14902E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384969842480E+03 0.34565E+01 -0.13332E+01 336 0.785E+00 0.104E+01
DAV: 8 -0.383516311500E+03 0.14535E+01 -0.18136E+00 336 0.379E+00 0.437E+00
DAV: 9 -0.382977740180E+03 0.53857E+00 -0.16893E+00 345 0.242E+00 0.132E+00
DAV: 10 -0.382907303471E+03 0.70437E-01 -0.16439E-01 327 0.107E+00 0.114E+00
DAV: 11 -0.382884097705E+03 0.23206E-01 -0.31463E-01 354 0.656E-01 0.112E+00
DAV: 12 -0.382863884633E+03 0.20213E-01 -0.19845E-01 336 0.796E-01 0.104E+00
DAV: 13 -0.382842479939E+03 0.21405E-01 -0.19822E-01 363 0.602E-01 0.759E-01
DAV: 14 -0.382837952183E+03 0.45278E-02 -0.36050E-02 309 0.279E-01 0.437E-01
DAV: 15 -0.382828342799E+03 0.96094E-02 -0.13512E-02 327 0.348E-01 0.407E-01
DAV: 16 -0.382827796590E+03 0.54621E-03 -0.14557E-02 318 0.388E-01 0.520E-01
DAV: 17 -0.382832928218E+03 -0.51316E-02 -0.97552E-03 354 0.343E-01 0.260E-01
DAV: 18 -0.382838878742E+03 -0.59505E-02 -0.37419E-03 291 0.192E-01 0.136E-01
DAV: 19 -0.382845892519E+03 -0.70138E-02 -0.15688E-03 300 0.131E-01 0.188E-01
DAV: 20 -0.382856722793E+03 -0.10830E-01 -0.16752E-03 318 0.108E-01 0.132E-01
DAV: 21 -0.382864579871E+03 -0.78571E-02 -0.88425E-04 309 0.898E-02 0.644E-02
DAV: 22 -0.382870330811E+03 -0.57509E-02 -0.55388E-04 354 0.603E-02 0.619E-02
DAV: 23 -0.382873197429E+03 -0.28666E-02 -0.12234E-04 327 0.301E-02 0.228E-02
DAV: 24 -0.382876517127E+03 -0.33197E-02 -0.18081E-04 300 0.280E-02 0.393E-02
DAV: 25 -0.382877564967E+03 -0.10478E-02 -0.37608E-05 300 0.147E-02 0.215E-02
DAV: 26 -0.382878393628E+03 -0.82866E-03 -0.43420E-05 291 0.153E-02 0.106E-02
DAV: 27 -0.382878797177E+03 -0.40355E-03 -0.11000E-05 228 0.766E-03 0.949E-03
DAV: 28 -0.382879009838E+03 -0.21266E-03 -0.81849E-06 228 0.670E-03 0.454E-03
DAV: 29 -0.382879190050E+03 -0.18021E-03 -0.57579E-06 210 0.538E-03 0.377E-03
DAV: 30 -0.382879253619E+03 -0.63569E-04 -0.23569E-06 228 0.385E-03 0.189E-03
DAV: 31 -0.382879301559E+03 -0.47940E-04 -0.19698E-06 192 0.268E-03 0.199E-03
DAV: 32 -0.382879314807E+03 -0.13249E-04 -0.60078E-07 237 0.217E-03 0.108E-03
DAV: 33 -0.382879341530E+03 -0.26722E-04 -0.15817E-06 192 0.309E-03 0.152E-03
DAV: 34 -0.382879344439E+03 -0.29097E-05 -0.33403E-07 228 0.151E-03
1 F= -.38287934E+03 E0= -.38289598E+03 d E =0.498932E-01