./iterations/neb0_image09_iter24_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 0.145251703747E+04 0.14525E+04 -0.44265E+04 330 0.697E+02
DAV: 2 0.230982252643E+03 -0.12215E+04 -0.11469E+04 426 0.163E+02
DAV: 3 -0.362041197212E+03 -0.59302E+03 -0.58883E+03 354 0.114E+02
DAV: 4 -0.432644376179E+03 -0.70603E+02 -0.70321E+02 318 0.496E+01
DAV: 5 -0.434225898241E+03 -0.15815E+01 -0.15787E+01 318 0.777E+00 0.427E+01
DAV: 6 -0.388427253443E+03 0.45799E+02 -0.14847E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384983069196E+03 0.34442E+01 -0.12844E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.383516454740E+03 0.14666E+01 -0.18296E+00 345 0.381E+00 0.429E+00
DAV: 9 -0.382989445782E+03 0.52701E+00 -0.14813E+00 336 0.226E+00 0.111E+00
DAV: 10 -0.382917836010E+03 0.71610E-01 -0.14820E-01 336 0.102E+00 0.862E-01
DAV: 11 -0.382877021819E+03 0.40814E-01 -0.63168E-02 336 0.660E-01 0.555E-01
DAV: 12 -0.382863523737E+03 0.13498E-01 -0.11588E-01 345 0.553E-01 0.100E+00
DAV: 13 -0.382847276866E+03 0.16247E-01 -0.19172E-01 372 0.494E-01 0.414E-01
DAV: 14 -0.382839147077E+03 0.81298E-02 -0.14151E-02 318 0.389E-01 0.223E-01
DAV: 15 -0.382841886071E+03 -0.27390E-02 -0.29885E-02 318 0.304E-01 0.466E-01
DAV: 16 -0.382844747612E+03 -0.28615E-02 -0.20809E-02 291 0.228E-01 0.111E-01
DAV: 17 -0.382856437594E+03 -0.11690E-01 -0.38088E-03 300 0.206E-01 0.807E-02
DAV: 18 -0.382866792842E+03 -0.10355E-01 -0.25813E-03 318 0.159E-01 0.536E-02
DAV: 19 -0.382872664227E+03 -0.58714E-02 -0.74161E-04 318 0.796E-02 0.608E-02
DAV: 20 -0.382876677688E+03 -0.40135E-02 -0.15872E-04 318 0.321E-02 0.556E-02
DAV: 21 -0.382884570123E+03 -0.78924E-02 -0.60461E-04 282 0.482E-02 0.212E-02
DAV: 22 -0.382886675190E+03 -0.21051E-02 -0.14489E-04 336 0.259E-02 0.352E-02
DAV: 23 -0.382888416807E+03 -0.17416E-02 -0.12890E-04 300 0.256E-02 0.191E-02
DAV: 24 -0.382889457728E+03 -0.10409E-02 -0.44260E-05 300 0.152E-02 0.103E-02
DAV: 25 -0.382890485938E+03 -0.10282E-02 -0.48141E-05 273 0.128E-02 0.568E-03
DAV: 26 -0.382890816171E+03 -0.33023E-03 -0.10200E-05 228 0.836E-03 0.342E-03
DAV: 27 -0.382890994879E+03 -0.17871E-03 -0.56502E-06 210 0.530E-03 0.287E-03
DAV: 28 -0.382891142484E+03 -0.14760E-03 -0.56520E-06 210 0.547E-03 0.217E-03
DAV: 29 -0.382891187240E+03 -0.44756E-04 -0.19266E-06 228 0.302E-03 0.180E-03
DAV: 30 -0.382891234517E+03 -0.47277E-04 -0.26033E-06 192 0.418E-03 0.122E-03
DAV: 31 -0.382891244784E+03 -0.10267E-04 -0.71212E-07 219 0.209E-03 0.100E-03
DAV: 32 -0.382891254514E+03 -0.97298E-05 -0.50668E-07 201 0.165E-03
1 F= -.38289125E+03 E0= -.38290857E+03 d E =0.519446E-01