./iterations/neb0_image04_iter17_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 0.144971468428E+04 0.14497E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.225370934617E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362403394076E+03 -0.58777E+03 -0.58446E+03 345 0.114E+02
DAV: 4 -0.433328330947E+03 -0.70925E+02 -0.70664E+02 318 0.509E+01
DAV: 5 -0.434915847424E+03 -0.15875E+01 -0.15851E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389023299541E+03 0.45893E+02 -0.14766E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385570470221E+03 0.34528E+01 -0.13466E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384107491902E+03 0.14630E+01 -0.21600E+00 327 0.386E+00 0.434E+00
DAV: 9 -0.383567030040E+03 0.54046E+00 -0.15523E+00 327 0.240E+00 0.135E+00
DAV: 10 -0.383500545056E+03 0.66485E-01 -0.32994E-01 336 0.117E+00 0.108E+00
DAV: 11 -0.383476563887E+03 0.23981E-01 -0.29111E-01 354 0.672E-01 0.102E+00
DAV: 12 -0.383459676603E+03 0.16887E-01 -0.29808E-01 345 0.757E-01 0.954E-01
DAV: 13 -0.383436796035E+03 0.22881E-01 -0.14194E-01 354 0.562E-01 0.672E-01
DAV: 14 -0.383425022961E+03 0.11773E-01 -0.51292E-02 327 0.381E-01 0.447E-01
DAV: 15 -0.383421381685E+03 0.36413E-02 -0.21532E-02 309 0.433E-01 0.367E-01
DAV: 16 -0.383423064017E+03 -0.16823E-02 -0.13199E-02 345 0.284E-01 0.189E-01
DAV: 17 -0.383428158903E+03 -0.50949E-02 -0.40671E-03 300 0.204E-01 0.128E-01
DAV: 18 -0.383437227685E+03 -0.90688E-02 -0.50975E-03 318 0.172E-01 0.197E-01
DAV: 19 -0.383437069323E+03 0.15836E-03 -0.91789E-04 345 0.845E-02 0.994E-02
DAV: 20 -0.383445981514E+03 -0.89122E-02 -0.11304E-03 291 0.971E-02 0.102E-01
DAV: 21 -0.383453153370E+03 -0.71719E-02 -0.10645E-03 309 0.894E-02 0.734E-02
DAV: 22 -0.383460815127E+03 -0.76618E-02 -0.19240E-03 318 0.892E-02 0.685E-02
DAV: 23 -0.383464796477E+03 -0.39814E-02 -0.32144E-04 309 0.432E-02 0.605E-02
DAV: 24 -0.383467077461E+03 -0.22810E-02 -0.14262E-04 336 0.307E-02 0.246E-02
DAV: 25 -0.383468764866E+03 -0.16874E-02 -0.12335E-04 318 0.237E-02 0.228E-02
DAV: 26 -0.383469639893E+03 -0.87503E-03 -0.27338E-05 264 0.140E-02 0.121E-02
DAV: 27 -0.383470724690E+03 -0.10848E-02 -0.54725E-05 282 0.132E-02 0.145E-02
DAV: 28 -0.383471138682E+03 -0.41399E-03 -0.21065E-05 255 0.947E-03 0.576E-03
DAV: 29 -0.383471327769E+03 -0.18909E-03 -0.82981E-06 228 0.621E-03 0.446E-03
DAV: 30 -0.383471514336E+03 -0.18657E-03 -0.76201E-06 210 0.496E-03 0.355E-03
DAV: 31 -0.383471573737E+03 -0.59401E-04 -0.27163E-06 237 0.375E-03 0.287E-03
DAV: 32 -0.383471623703E+03 -0.49966E-04 -0.23079E-06 210 0.324E-03 0.162E-03
DAV: 33 -0.383471656215E+03 -0.32512E-04 -0.14421E-06 210 0.240E-03 0.143E-03
DAV: 34 -0.383471666006E+03 -0.97906E-05 -0.67960E-07 228 0.167E-03
1 F= -.38347167E+03 E0= -.38348837E+03 d E =0.501184E-01