iterations/neb0_image08_iter16_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 0.145334939999E+04 0.14533E+04 -0.44262E+04 330 0.697E+02
DAV: 2 0.230272170820E+03 -0.12231E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.360485561420E+03 -0.59076E+03 -0.58731E+03 345 0.114E+02
DAV: 4 -0.432789148285E+03 -0.72304E+02 -0.72019E+02 318 0.513E+01
DAV: 5 -0.434431774306E+03 -0.16426E+01 -0.16399E+01 318 0.797E+00 0.427E+01
DAV: 6 -0.388561034391E+03 0.45871E+02 -0.14734E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385092024354E+03 0.34690E+01 -0.13281E+01 345 0.787E+00 0.104E+01
DAV: 8 -0.383630003344E+03 0.14620E+01 -0.20078E+00 345 0.389E+00 0.428E+00
DAV: 9 -0.383085484989E+03 0.54452E+00 -0.69937E-01 336 0.207E+00 0.110E+00
DAV: 10 -0.383024184076E+03 0.61301E-01 -0.27193E-01 336 0.959E-01 0.108E+00
DAV: 11 -0.383006409178E+03 0.17775E-01 -0.19198E-01 345 0.563E-01 0.889E-01
DAV: 12 -0.382983561031E+03 0.22848E-01 -0.75350E-02 327 0.441E-01 0.724E-01
DAV: 13 -0.382970602073E+03 0.12959E-01 -0.13586E-01 327 0.563E-01 0.834E-01
DAV: 14 -0.382956620715E+03 0.13981E-01 -0.46886E-02 309 0.434E-01 0.459E-01
DAV: 15 -0.382956568632E+03 0.52083E-04 -0.10810E-02 327 0.265E-01 0.365E-01
DAV: 16 -0.382959062630E+03 -0.24940E-02 -0.78049E-03 345 0.223E-01 0.173E-01
DAV: 17 -0.382970912344E+03 -0.11850E-01 -0.51741E-03 327 0.228E-01 0.216E-01
DAV: 18 -0.382977809904E+03 -0.68976E-02 -0.26590E-03 318 0.163E-01 0.115E-01
DAV: 19 -0.382987252826E+03 -0.94429E-02 -0.26956E-03 309 0.142E-01 0.168E-01
DAV: 20 -0.382993989198E+03 -0.67364E-02 -0.16739E-03 318 0.922E-02 0.821E-02
DAV: 21 -0.382999212543E+03 -0.52233E-02 -0.50787E-04 309 0.499E-02 0.672E-02
DAV: 22 -0.383002269113E+03 -0.30566E-02 -0.18112E-04 372 0.339E-02 0.312E-02
DAV: 23 -0.383005526378E+03 -0.32573E-02 -0.14683E-04 309 0.269E-02 0.261E-02
DAV: 24 -0.383008259243E+03 -0.27329E-02 -0.14673E-04 309 0.233E-02 0.226E-02
DAV: 25 -0.383009386910E+03 -0.11277E-02 -0.52357E-05 291 0.129E-02 0.120E-02
DAV: 26 -0.383010001118E+03 -0.61421E-03 -0.20502E-05 246 0.819E-03 0.603E-03
DAV: 27 -0.383010301174E+03 -0.30006E-03 -0.12016E-05 210 0.659E-03 0.583E-03
DAV: 28 -0.383010507999E+03 -0.20682E-03 -0.91741E-06 219 0.574E-03 0.283E-03
DAV: 29 -0.383010567041E+03 -0.59042E-04 -0.26813E-06 228 0.332E-03 0.162E-03
DAV: 30 -0.383010605412E+03 -0.38371E-04 -0.17063E-06 192 0.253E-03 0.124E-03
DAV: 31 -0.383010620819E+03 -0.15407E-04 -0.77479E-07 219 0.164E-03 0.802E-04
DAV: 32 -0.383010634240E+03 -0.13420E-04 -0.55608E-07 201 0.166E-03 0.768E-04
DAV: 33 -0.383010641292E+03 -0.70521E-05 -0.33801E-07 219 0.106E-03
1 F= -.38301064E+03 E0= -.38302750E+03 d E =0.505841E-01