iterations/neb0_image08_iter2_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 0.150889892855E+04 0.15089E+04 -0.43564E+04 322 0.697E+02
DAV: 2 0.254429201737E+03 -0.12545E+04 -0.11778E+04 420 0.164E+02
DAV: 3 -0.353416857721E+03 -0.60785E+03 -0.60355E+03 348 0.117E+02
DAV: 4 -0.432256433700E+03 -0.78840E+02 -0.78486E+02 316 0.535E+01
DAV: 5 -0.434106794311E+03 -0.18504E+01 -0.18472E+01 332 0.827E+00 0.426E+01
DAV: 6 -0.388222609117E+03 0.45884E+02 -0.14870E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.384694937322E+03 0.35277E+01 -0.12322E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383280934241E+03 0.14140E+01 -0.22574E+00 332 0.382E+00 0.425E+00
DAV: 9 -0.382722331745E+03 0.55860E+00 -0.72881E-01 324 0.201E+00 0.102E+00
DAV: 10 -0.382665229917E+03 0.57102E-01 -0.11148E-01 340 0.864E-01 0.748E-01
DAV: 11 -0.382650623072E+03 0.14607E-01 -0.12315E-01 324 0.513E-01 0.896E-01
DAV: 12 -0.382637130736E+03 0.13492E-01 -0.27792E-01 340 0.470E-01 0.462E-01
DAV: 13 -0.382623843347E+03 0.13287E-01 -0.17424E-02 308 0.369E-01 0.350E-01
DAV: 14 -0.382622818854E+03 0.10245E-02 -0.15377E-02 308 0.343E-01 0.143E-01
DAV: 15 -0.382634089546E+03 -0.11271E-01 -0.60004E-03 316 0.246E-01 0.249E-01
DAV: 16 -0.382643033301E+03 -0.89438E-02 -0.23391E-03 324 0.140E-01 0.827E-02
DAV: 17 -0.382655880171E+03 -0.12847E-01 -0.38648E-03 292 0.125E-01 0.117E-01
DAV: 18 -0.382658646043E+03 -0.27659E-02 -0.15121E-03 332 0.744E-02 0.663E-02
DAV: 19 -0.382662588065E+03 -0.39420E-02 -0.26049E-04 292 0.433E-02 0.355E-02
DAV: 20 -0.382673069599E+03 -0.10482E-01 -0.82819E-04 300 0.584E-02 0.367E-02
DAV: 21 -0.382675661325E+03 -0.25917E-02 -0.12383E-04 316 0.273E-02 0.186E-02
DAV: 22 -0.382678204491E+03 -0.25432E-02 -0.17663E-04 308 0.296E-02 0.178E-02
DAV: 23 -0.382679426100E+03 -0.12216E-02 -0.45123E-05 292 0.148E-02 0.101E-02
DAV: 24 -0.382680217439E+03 -0.79134E-03 -0.46648E-05 284 0.142E-02 0.648E-03
DAV: 25 -0.382680458849E+03 -0.24141E-03 -0.61738E-06 228 0.676E-03 0.283E-03
DAV: 26 -0.382680709681E+03 -0.25083E-03 -0.12255E-05 220 0.674E-03 0.276E-03
DAV: 27 -0.382680783243E+03 -0.73562E-04 -0.26006E-06 228 0.371E-03 0.121E-03
DAV: 28 -0.382680840831E+03 -0.57588E-04 -0.33078E-06 212 0.444E-03 0.234E-03
DAV: 29 -0.382680863844E+03 -0.23013E-04 -0.97357E-07 220 0.278E-03 0.125E-03
DAV: 30 -0.382680878198E+03 -0.14354E-04 -0.16519E-06 220 0.327E-03 0.147E-03
DAV: 31 -0.382680883002E+03 -0.48040E-05 -0.32816E-07 228 0.199E-03
1 F= -.38268088E+03 E0= -.38269381E+03 d E =0.387806E-01