./iterations/neb0_image03_iter14_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 0.144885325292E+04 0.14489E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224750562036E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362458169430E+03 -0.58721E+03 -0.58358E+03 345 0.114E+02
DAV: 4 -0.433387220096E+03 -0.70929E+02 -0.70698E+02 309 0.508E+01
DAV: 5 -0.434977917870E+03 -0.15907E+01 -0.15880E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389049161828E+03 0.45929E+02 -0.14793E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385602213957E+03 0.34469E+01 -0.13606E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384126676183E+03 0.14755E+01 -0.19815E+00 336 0.382E+00 0.430E+00
DAV: 9 -0.383580564523E+03 0.54611E+00 -0.10261E+00 327 0.228E+00 0.120E+00
DAV: 10 -0.383525425327E+03 0.55139E-01 -0.30337E-01 327 0.101E+00 0.118E+00
DAV: 11 -0.383495623632E+03 0.29802E-01 -0.23032E-01 327 0.616E-01 0.883E-01
DAV: 12 -0.383476900614E+03 0.18723E-01 -0.88059E-02 363 0.619E-01 0.102E+00
DAV: 13 -0.383459817429E+03 0.17083E-01 -0.10523E-01 381 0.479E-01 0.511E-01
DAV: 14 -0.383445947073E+03 0.13870E-01 -0.15955E-02 318 0.395E-01 0.243E-01
DAV: 15 -0.383444813350E+03 0.11337E-02 -0.13193E-02 318 0.371E-01 0.162E-01
DAV: 16 -0.383453305129E+03 -0.84918E-02 -0.53587E-03 309 0.241E-01 0.214E-01
DAV: 17 -0.383463830557E+03 -0.10525E-01 -0.26974E-03 300 0.184E-01 0.101E-01
DAV: 18 -0.383473518567E+03 -0.96880E-02 -0.27727E-03 300 0.150E-01 0.108E-01
DAV: 19 -0.383476261041E+03 -0.27425E-02 -0.65916E-04 345 0.735E-02 0.630E-02
DAV: 20 -0.383482586477E+03 -0.63254E-02 -0.38881E-04 309 0.482E-02 0.328E-02
DAV: 21 -0.383490552861E+03 -0.79664E-02 -0.49756E-04 309 0.505E-02 0.329E-02
DAV: 22 -0.383492422298E+03 -0.18694E-02 -0.97917E-05 336 0.245E-02 0.218E-02
DAV: 23 -0.383495397691E+03 -0.29754E-02 -0.13458E-04 300 0.258E-02 0.147E-02
DAV: 24 -0.383497772851E+03 -0.23752E-02 -0.12201E-04 300 0.208E-02 0.106E-02
DAV: 25 -0.383498552481E+03 -0.77963E-03 -0.29793E-05 264 0.111E-02 0.502E-03
DAV: 26 -0.383499044279E+03 -0.49180E-03 -0.17911E-05 228 0.862E-03 0.324E-03
DAV: 27 -0.383499260616E+03 -0.21634E-03 -0.77729E-06 237 0.611E-03 0.393E-03
DAV: 28 -0.383499411518E+03 -0.15090E-03 -0.54579E-06 210 0.466E-03 0.182E-03
DAV: 29 -0.383499445651E+03 -0.34133E-04 -0.20931E-06 228 0.318E-03 0.174E-03
DAV: 30 -0.383499478349E+03 -0.32698E-04 -0.16202E-06 192 0.313E-03 0.129E-03
DAV: 31 -0.383499491837E+03 -0.13488E-04 -0.69300E-07 228 0.178E-03 0.132E-03
DAV: 32 -0.383499494955E+03 -0.31183E-05 -0.24944E-07 237 0.124E-03
1 F= -.38349949E+03 E0= -.38351614E+03 d E =0.499428E-01