iterations/neb0_image05_iter25_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145026503994E+04 0.14503E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.232401467165E+03 -0.12179E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.361091853119E+03 -0.59349E+03 -0.59028E+03 345 0.114E+02
DAV: 4 -0.433172479655E+03 -0.72081E+02 -0.71836E+02 309 0.515E+01
DAV: 5 -0.434820477154E+03 -0.16480E+01 -0.16452E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388969433948E+03 0.45851E+02 -0.14713E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385519793363E+03 0.34496E+01 -0.13421E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384072168027E+03 0.14476E+01 -0.25380E+00 336 0.391E+00 0.438E+00
DAV: 9 -0.383525948382E+03 0.54622E+00 -0.12977E+00 336 0.233E+00 0.138E+00
DAV: 10 -0.383449497031E+03 0.76451E-01 -0.31450E-01 327 0.125E+00 0.119E+00
DAV: 11 -0.383426879976E+03 0.22617E-01 -0.24905E-01 345 0.752E-01 0.945E-01
DAV: 12 -0.383418330744E+03 0.85492E-02 -0.53910E-02 327 0.681E-01 0.116E+00
DAV: 13 -0.383386501698E+03 0.31829E-01 -0.29276E-02 336 0.543E-01 0.586E-01
DAV: 14 -0.383374851384E+03 0.11650E-01 -0.29440E-02 300 0.399E-01 0.310E-01
DAV: 15 -0.383372056535E+03 0.27948E-02 -0.18103E-02 327 0.409E-01 0.255E-01
DAV: 16 -0.383374899570E+03 -0.28430E-02 -0.45471E-03 354 0.234E-01 0.256E-01
DAV: 17 -0.383380691282E+03 -0.57917E-02 -0.25481E-03 291 0.162E-01 0.128E-01
DAV: 18 -0.383392927362E+03 -0.12236E-01 -0.37011E-03 318 0.190E-01 0.113E-01
DAV: 19 -0.383398018346E+03 -0.50910E-02 -0.12732E-03 318 0.118E-01 0.845E-02
DAV: 20 -0.383406657634E+03 -0.86393E-02 -0.12238E-03 309 0.103E-01 0.940E-02
DAV: 21 -0.383413169612E+03 -0.65120E-02 -0.50343E-04 327 0.661E-02 0.433E-02
DAV: 22 -0.383417813049E+03 -0.46434E-02 -0.35213E-04 327 0.457E-02 0.317E-02
DAV: 23 -0.383419709290E+03 -0.18962E-02 -0.65473E-05 336 0.237E-02 0.212E-02
DAV: 24 -0.383422283995E+03 -0.25747E-02 -0.10572E-04 282 0.228E-02 0.130E-02
DAV: 25 -0.383424404357E+03 -0.21204E-02 -0.12800E-04 318 0.194E-02 0.144E-02
DAV: 26 -0.383424991994E+03 -0.58764E-03 -0.24049E-05 264 0.105E-02 0.108E-02
DAV: 27 -0.383425399707E+03 -0.40771E-03 -0.15843E-05 210 0.847E-03 0.489E-03
DAV: 28 -0.383425531733E+03 -0.13203E-03 -0.64879E-06 228 0.548E-03 0.454E-03
DAV: 29 -0.383425582599E+03 -0.50866E-04 -0.20801E-06 237 0.369E-03 0.326E-03
DAV: 30 -0.383425670539E+03 -0.87940E-04 -0.25095E-06 210 0.345E-03 0.162E-03
DAV: 31 -0.383425715903E+03 -0.45365E-04 -0.16747E-06 219 0.263E-03 0.106E-03
DAV: 32 -0.383425731645E+03 -0.15742E-04 -0.86092E-07 228 0.231E-03 0.694E-04
DAV: 33 -0.383425744368E+03 -0.12723E-04 -0.54875E-07 201 0.171E-03 0.150E-03
DAV: 34 -0.383425747649E+03 -0.32816E-05 -0.25528E-07 228 0.112E-03
1 F= -.38342575E+03 E0= -.38344240E+03 d E =0.499526E-01