iterations/neb0_image07_iter15_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 0.150819369780E+04 0.15082E+04 -0.43568E+04 322 0.697E+02
DAV: 2 0.249317424672E+03 -0.12589E+04 -0.11842E+04 428 0.164E+02
DAV: 3 -0.356182511992E+03 -0.60550E+03 -0.60157E+03 348 0.117E+02
DAV: 4 -0.433066105520E+03 -0.76884E+02 -0.76563E+02 316 0.531E+01
DAV: 5 -0.434869680217E+03 -0.18036E+01 -0.18006E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388799362253E+03 0.46070E+02 -0.14916E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385269361490E+03 0.35300E+01 -0.12718E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.383845657228E+03 0.14237E+01 -0.24290E+00 332 0.388E+00 0.427E+00
DAV: 9 -0.383291768063E+03 0.55389E+00 -0.67246E-01 332 0.195E+00 0.114E+00
DAV: 10 -0.383251306020E+03 0.40462E-01 -0.54693E-01 348 0.106E+00 0.786E-01
DAV: 11 -0.383226632569E+03 0.24673E-01 -0.30561E-02 324 0.477E-01 0.614E-01
DAV: 12 -0.383205843167E+03 0.20789E-01 -0.99427E-02 340 0.609E-01 0.715E-01
DAV: 13 -0.383195954456E+03 0.98887E-02 -0.63100E-02 348 0.379E-01 0.331E-01
DAV: 14 -0.383195305613E+03 0.64884E-03 -0.19615E-02 300 0.270E-01 0.386E-01
DAV: 15 -0.383199076785E+03 -0.37712E-02 -0.38816E-02 308 0.325E-01 0.263E-01
DAV: 16 -0.383204228058E+03 -0.51513E-02 -0.63488E-03 316 0.217E-01 0.170E-01
DAV: 17 -0.383217919579E+03 -0.13692E-01 -0.17044E-02 308 0.238E-01 0.458E-01
DAV: 18 -0.383218031739E+03 -0.11216E-03 -0.78290E-03 332 0.122E-01 0.182E-01
DAV: 19 -0.383226893270E+03 -0.88615E-02 -0.12531E-03 276 0.848E-02 0.649E-02
DAV: 20 -0.383235157073E+03 -0.82638E-02 -0.84160E-04 308 0.693E-02 0.432E-02
DAV: 21 -0.383241320435E+03 -0.61634E-02 -0.43028E-04 316 0.514E-02 0.222E-02
DAV: 22 -0.383246277162E+03 -0.49567E-02 -0.30513E-04 308 0.371E-02 0.221E-02
DAV: 23 -0.383248623682E+03 -0.23465E-02 -0.12246E-04 308 0.207E-02 0.110E-02
DAV: 24 -0.383249865261E+03 -0.12416E-02 -0.68819E-05 308 0.185E-02 0.112E-02
DAV: 25 -0.383250232624E+03 -0.36736E-03 -0.84199E-06 236 0.769E-03 0.920E-03
DAV: 26 -0.383250696967E+03 -0.46434E-03 -0.24255E-05 236 0.903E-03 0.418E-03
DAV: 27 -0.383250833799E+03 -0.13683E-03 -0.45066E-06 228 0.479E-03 0.490E-03
DAV: 28 -0.383250928334E+03 -0.94535E-04 -0.38057E-06 212 0.438E-03 0.456E-03
DAV: 29 -0.383250958423E+03 -0.30089E-04 -0.10315E-06 228 0.248E-03 0.141E-03
DAV: 30 -0.383251004732E+03 -0.46308E-04 -0.20610E-06 212 0.326E-03 0.125E-03
DAV: 31 -0.383251016693E+03 -0.11961E-04 -0.56589E-07 228 0.169E-03 0.833E-04
DAV: 32 -0.383251022721E+03 -0.60285E-05 -0.35632E-07 220 0.148E-03
1 F= -.38325102E+03 E0= -.38326396E+03 d E =0.388253E-01