iterations/neb0_image03_iter16_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 0.161851247221E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297617294643E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357362092861E+03 -0.65498E+03 -0.65137E+03 364 0.123E+02
DAV: 4 -0.433425311704E+03 -0.76063E+02 -0.75745E+02 316 0.521E+01
DAV: 5 -0.435164108621E+03 -0.17388E+01 -0.17366E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389096979728E+03 0.46067E+02 -0.15143E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385598190513E+03 0.34988E+01 -0.12326E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384151425059E+03 0.14468E+01 -0.25127E+00 332 0.385E+00 0.430E+00
DAV: 9 -0.383578854767E+03 0.57257E+00 -0.61704E-01 324 0.194E+00 0.969E-01
DAV: 10 -0.383521581583E+03 0.57273E-01 -0.14071E-01 332 0.957E-01 0.783E-01
DAV: 11 -0.383511389209E+03 0.10192E-01 -0.12069E-01 348 0.461E-01 0.875E-01
DAV: 12 -0.383491768335E+03 0.19621E-01 -0.15362E-01 316 0.380E-01 0.483E-01
DAV: 13 -0.383481390064E+03 0.10378E-01 -0.43336E-02 316 0.377E-01 0.425E-01
DAV: 14 -0.383480842555E+03 0.54751E-03 -0.35836E-02 348 0.256E-01 0.241E-01
DAV: 15 -0.383482868652E+03 -0.20261E-02 -0.12855E-02 308 0.267E-01 0.162E-01
DAV: 16 -0.383497564196E+03 -0.14696E-01 -0.85729E-03 300 0.253E-01 0.993E-02
DAV: 17 -0.383508053237E+03 -0.10489E-01 -0.40530E-03 324 0.178E-01 0.109E-01
DAV: 18 -0.383517953724E+03 -0.99005E-02 -0.19099E-03 332 0.107E-01 0.983E-02
DAV: 19 -0.383522389746E+03 -0.44360E-02 -0.57070E-04 356 0.554E-02 0.504E-02
DAV: 20 -0.383528071340E+03 -0.56816E-02 -0.48721E-04 308 0.457E-02 0.247E-02
DAV: 21 -0.383533613994E+03 -0.55427E-02 -0.29712E-04 316 0.339E-02 0.238E-02
DAV: 22 -0.383536218188E+03 -0.26042E-02 -0.10929E-04 308 0.208E-02 0.168E-02
DAV: 23 -0.383538295401E+03 -0.20772E-02 -0.12304E-04 300 0.199E-02 0.663E-03
DAV: 24 -0.383538877778E+03 -0.58238E-03 -0.15493E-05 228 0.890E-03 0.421E-03
DAV: 25 -0.383539453242E+03 -0.57546E-03 -0.35003E-05 252 0.962E-03 0.454E-03
DAV: 26 -0.383539548114E+03 -0.94871E-04 -0.36669E-06 236 0.424E-03 0.199E-03
DAV: 27 -0.383539674984E+03 -0.12687E-03 -0.55333E-06 196 0.504E-03 0.229E-03
DAV: 28 -0.383539698481E+03 -0.23497E-04 -0.10222E-06 228 0.253E-03 0.163E-03
DAV: 29 -0.383539728235E+03 -0.29754E-04 -0.16676E-06 196 0.352E-03 0.102E-03
DAV: 30 -0.383539748421E+03 -0.20186E-04 -0.77395E-07 220 0.189E-03 0.754E-04
DAV: 31 -0.383539754859E+03 -0.64383E-05 -0.26560E-07 228 0.100E-03
1 F= -.38353975E+03 E0= -.38355289E+03 d E =0.394105E-01