./iterations/neb0_image03_iter7_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 0.144890642170E+04 0.14489E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224762886345E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362469073054E+03 -0.58723E+03 -0.58361E+03 345 0.114E+02
DAV: 4 -0.433396848907E+03 -0.70928E+02 -0.70697E+02 309 0.508E+01
DAV: 5 -0.434987590214E+03 -0.15907E+01 -0.15880E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389049188563E+03 0.45938E+02 -0.14796E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385598302143E+03 0.34509E+01 -0.13459E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384119090377E+03 0.14792E+01 -0.18701E+00 336 0.379E+00 0.428E+00
DAV: 9 -0.383586255606E+03 0.53283E+00 -0.86436E-01 345 0.216E+00 0.110E+00
DAV: 10 -0.383514574563E+03 0.71681E-01 -0.15800E-01 327 0.972E-01 0.900E-01
DAV: 11 -0.383486302674E+03 0.28272E-01 -0.80400E-02 327 0.544E-01 0.724E-01
DAV: 12 -0.383473826147E+03 0.12477E-01 -0.16120E-01 354 0.537E-01 0.902E-01
DAV: 13 -0.383452662765E+03 0.21163E-01 -0.37030E-02 354 0.468E-01 0.553E-01
DAV: 14 -0.383445546753E+03 0.71160E-02 -0.41212E-02 318 0.423E-01 0.503E-01
DAV: 15 -0.383447259771E+03 -0.17130E-02 -0.13195E-02 318 0.336E-01 0.740E-01
DAV: 16 -0.383444537689E+03 0.27221E-02 -0.49547E-02 327 0.266E-01 0.323E-01
DAV: 17 -0.383451200898E+03 -0.66632E-02 -0.89792E-03 318 0.225E-01 0.193E-01
DAV: 18 -0.383464493836E+03 -0.13293E-01 -0.47702E-03 291 0.198E-01 0.144E-01
DAV: 19 -0.383472511251E+03 -0.80174E-02 -0.24474E-03 309 0.143E-01 0.117E-01
DAV: 20 -0.383480070016E+03 -0.75588E-02 -0.10087E-03 336 0.897E-02 0.570E-02
DAV: 21 -0.383487046790E+03 -0.69768E-02 -0.34464E-04 309 0.426E-02 0.791E-02
DAV: 22 -0.383491404794E+03 -0.43580E-02 -0.27650E-04 309 0.372E-02 0.481E-02
DAV: 23 -0.383494717715E+03 -0.33129E-02 -0.28204E-04 345 0.371E-02 0.285E-02
DAV: 24 -0.383496203917E+03 -0.14862E-02 -0.75909E-05 318 0.179E-02 0.148E-02
DAV: 25 -0.383497091594E+03 -0.88768E-03 -0.33837E-05 282 0.116E-02 0.793E-03
DAV: 26 -0.383497785524E+03 -0.69393E-03 -0.25382E-05 255 0.914E-03 0.544E-03
DAV: 27 -0.383498037484E+03 -0.25196E-03 -0.60417E-06 237 0.481E-03 0.310E-03
DAV: 28 -0.383498221354E+03 -0.18387E-03 -0.59211E-06 219 0.484E-03 0.240E-03
DAV: 29 -0.383498301131E+03 -0.79776E-04 -0.28013E-06 228 0.376E-03 0.211E-03
DAV: 30 -0.383498341219E+03 -0.40088E-04 -0.15700E-06 210 0.291E-03 0.153E-03
DAV: 31 -0.383498368485E+03 -0.27266E-04 -0.11365E-06 210 0.215E-03 0.116E-03
DAV: 32 -0.383498378481E+03 -0.99964E-05 -0.50925E-07 219 0.155E-03
1 F= -.38349838E+03 E0= -.38351499E+03 d E =0.498440E-01