iterations/neb0_image02_iter25_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 0.161788046458E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296697301031E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358026837940E+03 -0.65472E+03 -0.65102E+03 364 0.123E+02
DAV: 4 -0.433480568341E+03 -0.75454E+02 -0.75140E+02 316 0.520E+01
DAV: 5 -0.435192123421E+03 -0.17116E+01 -0.17089E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389124217554E+03 0.46068E+02 -0.15034E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607862782E+03 0.35164E+01 -0.12485E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384165478571E+03 0.14424E+01 -0.25588E+00 332 0.384E+00 0.431E+00
DAV: 9 -0.383584621992E+03 0.58086E+00 -0.66963E-01 324 0.198E+00 0.107E+00
DAV: 10 -0.383540706912E+03 0.43915E-01 -0.34738E-01 340 0.974E-01 0.797E-01
DAV: 11 -0.383514569856E+03 0.26137E-01 -0.35418E-02 316 0.475E-01 0.647E-01
DAV: 12 -0.383504045490E+03 0.10524E-01 -0.15053E-01 372 0.579E-01 0.867E-01
DAV: 13 -0.383484518888E+03 0.19527E-01 -0.12473E-01 308 0.434E-01 0.401E-01
DAV: 14 -0.383484901414E+03 -0.38253E-03 -0.44073E-02 340 0.339E-01 0.469E-01
DAV: 15 -0.383487309255E+03 -0.24078E-02 -0.18452E-02 356 0.288E-01 0.265E-01
DAV: 16 -0.383494426841E+03 -0.71176E-02 -0.48612E-03 292 0.223E-01 0.156E-01
DAV: 17 -0.383501620279E+03 -0.71934E-02 -0.49715E-03 372 0.166E-01 0.145E-01
DAV: 18 -0.383511397531E+03 -0.97773E-02 -0.45351E-03 268 0.144E-01 0.151E-01
DAV: 19 -0.383511518502E+03 -0.12097E-03 -0.15932E-03 332 0.711E-02 0.844E-02
DAV: 20 -0.383518248217E+03 -0.67297E-02 -0.11517E-03 268 0.686E-02 0.622E-02
DAV: 21 -0.383525452088E+03 -0.72039E-02 -0.15161E-03 308 0.867E-02 0.794E-02
DAV: 22 -0.383534020834E+03 -0.85687E-02 -0.13410E-03 308 0.676E-02 0.307E-02
DAV: 23 -0.383536295611E+03 -0.22748E-02 -0.22912E-04 308 0.320E-02 0.380E-02
DAV: 24 -0.383537624653E+03 -0.13290E-02 -0.66477E-05 276 0.174E-02 0.375E-02
DAV: 25 -0.383540269258E+03 -0.26446E-02 -0.17222E-04 292 0.271E-02 0.172E-02
DAV: 26 -0.383540828709E+03 -0.55945E-03 -0.30116E-05 252 0.118E-02 0.234E-02
DAV: 27 -0.383541191088E+03 -0.36238E-03 -0.30204E-05 236 0.122E-02 0.123E-02
DAV: 28 -0.383541591791E+03 -0.40070E-03 -0.21167E-05 236 0.105E-02 0.741E-03
DAV: 29 -0.383541715418E+03 -0.12363E-03 -0.41295E-06 228 0.555E-03 0.383E-03
DAV: 30 -0.383541827555E+03 -0.11214E-03 -0.52816E-06 212 0.530E-03 0.164E-03
DAV: 31 -0.383541860415E+03 -0.32859E-04 -0.13133E-06 228 0.256E-03 0.219E-03
DAV: 32 -0.383541912793E+03 -0.52379E-04 -0.17283E-06 196 0.242E-03 0.148E-03
DAV: 33 -0.383541934261E+03 -0.21468E-04 -0.10386E-06 228 0.180E-03 0.740E-04
DAV: 34 -0.383541940892E+03 -0.66305E-05 -0.38518E-07 228 0.165E-03
1 F= -.38354194E+03 E0= -.38355914E+03 d E =0.515958E-01