iterations/neb0_image08_iter28_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 0.150769369425E+04 0.15077E+04 -0.43547E+04 322 0.697E+02
DAV: 2 0.251812476525E+03 -0.12559E+04 -0.11787E+04 420 0.164E+02
DAV: 3 -0.357717821361E+03 -0.60953E+03 -0.60510E+03 356 0.117E+02
DAV: 4 -0.432752375542E+03 -0.75035E+02 -0.74692E+02 316 0.516E+01
DAV: 5 -0.434477267176E+03 -0.17249E+01 -0.17219E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388648339941E+03 0.45829E+02 -0.14936E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385161350860E+03 0.34870E+01 -0.12444E+01 332 0.770E+00 0.104E+01
DAV: 8 -0.383737813120E+03 0.14235E+01 -0.23512E+00 332 0.391E+00 0.426E+00
DAV: 9 -0.383186577683E+03 0.55124E+00 -0.60921E-01 324 0.192E+00 0.944E-01
DAV: 10 -0.383132839092E+03 0.53739E-01 -0.11958E-01 340 0.903E-01 0.703E-01
DAV: 11 -0.383110153839E+03 0.22685E-01 -0.37939E-02 332 0.482E-01 0.552E-01
DAV: 12 -0.383101636024E+03 0.85178E-02 -0.69424E-02 364 0.375E-01 0.466E-01
DAV: 13 -0.383096602248E+03 0.50338E-02 -0.11440E-01 316 0.439E-01 0.780E-01
DAV: 14 -0.383088954791E+03 0.76475E-02 -0.40339E-02 324 0.211E-01 0.288E-01
DAV: 15 -0.383094490837E+03 -0.55360E-02 -0.94199E-03 292 0.250E-01 0.287E-01
DAV: 16 -0.383101474130E+03 -0.69833E-02 -0.36619E-03 324 0.173E-01 0.121E-01
DAV: 17 -0.383114152604E+03 -0.12678E-01 -0.26750E-03 300 0.154E-01 0.108E-01
DAV: 18 -0.383125945868E+03 -0.11793E-01 -0.28807E-03 292 0.146E-01 0.653E-02
DAV: 19 -0.383131602406E+03 -0.56565E-02 -0.13053E-03 332 0.916E-02 0.661E-02
DAV: 20 -0.383135854428E+03 -0.42520E-02 -0.24701E-04 316 0.423E-02 0.449E-02
DAV: 21 -0.383141309898E+03 -0.54555E-02 -0.33146E-04 308 0.433E-02 0.253E-02
DAV: 22 -0.383144209516E+03 -0.28996E-02 -0.20671E-04 324 0.352E-02 0.179E-02
DAV: 23 -0.383145889642E+03 -0.16801E-02 -0.97465E-05 340 0.275E-02 0.153E-02
DAV: 24 -0.383146438717E+03 -0.54908E-03 -0.40006E-05 308 0.182E-02 0.169E-02
DAV: 25 -0.383146330991E+03 0.10773E-03 -0.10315E-05 228 0.101E-02 0.180E-02
DAV: 26 -0.383146241093E+03 0.89898E-04 -0.26193E-05 252 0.161E-02 0.189E-02
DAV: 27 -0.383146520400E+03 -0.27931E-03 -0.12461E-04 340 0.362E-02 0.145E-02
DAV: 28 -0.383147051090E+03 -0.53069E-03 -0.12528E-04 324 0.311E-02 0.137E-02
DAV: 29 -0.383147241588E+03 -0.19050E-03 -0.60941E-05 324 0.247E-02 0.146E-02
DAV: 30 -0.383147353490E+03 -0.11190E-03 -0.31003E-05 276 0.209E-02 0.163E-02
DAV: 31 -0.383147376831E+03 -0.23341E-04 -0.22929E-05 284 0.147E-02 0.172E-02
DAV: 32 -0.383147412408E+03 -0.35577E-04 -0.28926E-05 268 0.241E-02 0.193E-02
DAV: 33 -0.383147519570E+03 -0.10716E-03 -0.93760E-05 308 0.454E-02 0.195E-02
DAV: 34 -0.383147593645E+03 -0.74075E-04 -0.16540E-04 340 0.309E-02 0.192E-02
DAV: 35 -0.383147880282E+03 -0.28664E-03 -0.27304E-04 356 0.731E-02 0.291E-02
DAV: 36 -0.383147679711E+03 0.20057E-03 -0.70277E-04 372 0.909E-02 0.578E-02
DAV: 37 -0.383148011931E+03 -0.33222E-03 -0.46926E-04 300 0.815E-02 0.255E-02
DAV: 38 -0.383148119340E+03 -0.10741E-03 -0.71065E-05 292 0.422E-02 0.372E-02
DAV: 39 -0.383148281937E+03 -0.16260E-03 -0.86007E-05 340 0.419E-02 0.224E-02
DAV: 40 -0.383148382918E+03 -0.10098E-03 -0.18628E-04 380 0.393E-02 0.169E-02
DAV: 41 -0.383148433714E+03 -0.50796E-04 -0.45484E-05 292 0.147E-02 0.174E-02
DAV: 42 -0.383148518428E+03 -0.84714E-04 -0.11849E-04 348 0.451E-02 0.134E-02
DAV: 43 -0.383148591568E+03 -0.73140E-04 -0.20119E-04 388 0.427E-02 0.139E-02
DAV: 44 -0.383148617596E+03 -0.26027E-04 -0.57106E-05 284 0.147E-02 0.190E-02
DAV: 45 -0.383148626872E+03 -0.92760E-05 -0.10462E-06 220 0.448E-03
1 F= -.38314863E+03 E0= -.38316273E+03 d E =0.423064E-01