iterations/neb0_image03_iter8_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 0.161854189333E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297614774202E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357379021603E+03 -0.65499E+03 -0.65139E+03 364 0.123E+02
DAV: 4 -0.433422404454E+03 -0.76043E+02 -0.75725E+02 316 0.521E+01
DAV: 5 -0.435160849763E+03 -0.17384E+01 -0.17362E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389092877348E+03 0.46068E+02 -0.15145E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385594979619E+03 0.34979E+01 -0.12323E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384146092854E+03 0.14489E+01 -0.24081E+00 332 0.383E+00 0.429E+00
DAV: 9 -0.383577128901E+03 0.56896E+00 -0.64491E-01 324 0.194E+00 0.107E+00
DAV: 10 -0.383534673896E+03 0.42455E-01 -0.41702E-01 348 0.103E+00 0.788E-01
DAV: 11 -0.383510095870E+03 0.24578E-01 -0.29958E-02 324 0.473E-01 0.628E-01
DAV: 12 -0.383488592362E+03 0.21504E-01 -0.63814E-02 340 0.649E-01 0.610E-01
DAV: 13 -0.383480385133E+03 0.82072E-02 -0.51020E-02 316 0.419E-01 0.359E-01
DAV: 14 -0.383480067673E+03 0.31746E-03 -0.40023E-02 316 0.326E-01 0.376E-01
DAV: 15 -0.383483226232E+03 -0.31586E-02 -0.12817E-02 308 0.246E-01 0.135E-01
DAV: 16 -0.383496509619E+03 -0.13283E-01 -0.77827E-03 292 0.230E-01 0.152E-01
DAV: 17 -0.383499509991E+03 -0.30004E-02 -0.22754E-03 324 0.105E-01 0.135E-01
DAV: 18 -0.383507396848E+03 -0.78869E-02 -0.12246E-03 276 0.928E-02 0.146E-01
DAV: 19 -0.383516036356E+03 -0.86395E-02 -0.18532E-03 308 0.914E-02 0.554E-02
DAV: 20 -0.383522622598E+03 -0.65862E-02 -0.62764E-04 300 0.665E-02 0.657E-02
DAV: 21 -0.383526099263E+03 -0.34767E-02 -0.51165E-04 316 0.667E-02 0.269E-02
DAV: 22 -0.383530342755E+03 -0.42435E-02 -0.18324E-04 308 0.319E-02 0.227E-02
DAV: 23 -0.383533757204E+03 -0.34144E-02 -0.16448E-04 308 0.236E-02 0.255E-02
DAV: 24 -0.383536174371E+03 -0.24172E-02 -0.14990E-04 292 0.248E-02 0.148E-02
DAV: 25 -0.383536899917E+03 -0.72555E-03 -0.61841E-05 316 0.183E-02 0.131E-02
DAV: 26 -0.383537163330E+03 -0.26341E-03 -0.75777E-06 228 0.816E-03 0.555E-03
DAV: 27 -0.383537383619E+03 -0.22029E-03 -0.12106E-05 212 0.738E-03 0.427E-03
DAV: 28 -0.383537449452E+03 -0.65832E-04 -0.24938E-06 228 0.465E-03 0.232E-03
DAV: 29 -0.383537523957E+03 -0.74505E-04 -0.24410E-06 196 0.325E-03 0.146E-03
DAV: 30 -0.383537552263E+03 -0.28306E-04 -0.10624E-06 220 0.255E-03 0.190E-03
DAV: 31 -0.383537582674E+03 -0.30411E-04 -0.12516E-06 212 0.314E-03 0.186E-03
DAV: 32 -0.383537596391E+03 -0.13717E-04 -0.61616E-07 220 0.197E-03 0.106E-03
DAV: 33 -0.383537600693E+03 -0.43011E-05 -0.39596E-07 228 0.173E-03
1 F= -.38353760E+03 E0= -.38355063E+03 d E =0.390890E-01