./iterations/neb0_image07_iter27_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 0.145028162475E+04 0.14503E+04 -0.44231E+04 330 0.697E+02
DAV: 2 0.227490255051E+03 -0.12228E+04 -0.11465E+04 426 0.163E+02
DAV: 3 -0.364875216485E+03 -0.59237E+03 -0.58882E+03 354 0.114E+02
DAV: 4 -0.433027955060E+03 -0.68153E+02 -0.67906E+02 309 0.491E+01
DAV: 5 -0.434527878057E+03 -0.14999E+01 -0.14971E+01 327 0.759E+00 0.426E+01
DAV: 6 -0.388790694027E+03 0.45737E+02 -0.14849E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385364620429E+03 0.34261E+01 -0.12971E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.383894461033E+03 0.14702E+01 -0.18565E+00 336 0.379E+00 0.432E+00
DAV: 9 -0.383379446445E+03 0.51501E+00 -0.17191E+00 336 0.231E+00 0.118E+00
DAV: 10 -0.383303707973E+03 0.75738E-01 -0.19110E-01 327 0.105E+00 0.941E-01
DAV: 11 -0.383278238560E+03 0.25469E-01 -0.11128E-01 327 0.600E-01 0.799E-01
DAV: 12 -0.383248309620E+03 0.29929E-01 -0.10343E-01 372 0.637E-01 0.874E-01
DAV: 13 -0.383235259741E+03 0.13050E-01 -0.18038E-01 381 0.560E-01 0.520E-01
DAV: 14 -0.383223636042E+03 0.11624E-01 -0.17226E-02 318 0.420E-01 0.505E-01
DAV: 15 -0.383221278005E+03 0.23580E-02 -0.18755E-02 327 0.287E-01 0.482E-01
DAV: 16 -0.383222252217E+03 -0.97421E-03 -0.13064E-02 300 0.240E-01 0.197E-01
DAV: 17 -0.383232724878E+03 -0.10473E-01 -0.65301E-03 291 0.239E-01 0.110E-01
DAV: 18 -0.383244117179E+03 -0.11392E-01 -0.30269E-03 327 0.184E-01 0.683E-02
DAV: 19 -0.383252283884E+03 -0.81667E-02 -0.12535E-03 318 0.108E-01 0.662E-02
DAV: 20 -0.383258221691E+03 -0.59378E-02 -0.43425E-04 318 0.542E-02 0.550E-02
DAV: 21 -0.383265533147E+03 -0.73115E-02 -0.46273E-04 309 0.448E-02 0.329E-02
DAV: 22 -0.383269166024E+03 -0.36329E-02 -0.29432E-04 363 0.332E-02 0.338E-02
DAV: 23 -0.383270637151E+03 -0.14711E-02 -0.11325E-04 309 0.257E-02 0.174E-02
DAV: 24 -0.383271349737E+03 -0.71259E-03 -0.30098E-05 246 0.119E-02 0.157E-02
DAV: 25 -0.383272463297E+03 -0.11136E-02 -0.59475E-05 273 0.157E-02 0.105E-02
DAV: 26 -0.383272884847E+03 -0.42155E-03 -0.26656E-05 237 0.100E-02 0.870E-03
DAV: 27 -0.383272981306E+03 -0.96459E-04 -0.58552E-06 246 0.623E-03 0.610E-03
DAV: 28 -0.383273104803E+03 -0.12350E-03 -0.32661E-06 201 0.400E-03 0.460E-03
DAV: 29 -0.383273241898E+03 -0.13709E-03 -0.66776E-06 210 0.550E-03 0.436E-03
DAV: 30 -0.383273263190E+03 -0.21292E-04 -0.19063E-06 228 0.298E-03 0.245E-03
DAV: 31 -0.383273283882E+03 -0.20693E-04 -0.10504E-06 201 0.205E-03 0.120E-03
DAV: 32 -0.383273302428E+03 -0.18546E-04 -0.67423E-07 201 0.157E-03 0.117E-03
DAV: 33 -0.383273307311E+03 -0.48827E-05 -0.30421E-07 228 0.117E-03
1 F= -.38327331E+03 E0= -.38329030E+03 d E =0.509669E-01