./iterations/neb0_image01_iter18_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 0.144732258257E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224170748756E+03 -0.12232E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363098369577E+03 -0.58727E+03 -0.58384E+03 345 0.114E+02
DAV: 4 -0.433526038960E+03 -0.70428E+02 -0.70152E+02 318 0.508E+01
DAV: 5 -0.435098124421E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389103054038E+03 0.45995E+02 -0.14810E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629181252E+03 0.34739E+01 -0.13515E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384151953012E+03 0.14772E+01 -0.21183E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383609016117E+03 0.54294E+00 -0.17049E+00 336 0.241E+00 0.137E+00
DAV: 10 -0.383540456871E+03 0.68559E-01 -0.29697E-01 318 0.113E+00 0.105E+00
DAV: 11 -0.383519163567E+03 0.21293E-01 -0.28188E-01 354 0.642E-01 0.998E-01
DAV: 12 -0.383493651110E+03 0.25512E-01 -0.23349E-01 327 0.704E-01 0.922E-01
DAV: 13 -0.383477147369E+03 0.16504E-01 -0.18645E-01 363 0.552E-01 0.697E-01
DAV: 14 -0.383464099664E+03 0.13048E-01 -0.22604E-02 354 0.391E-01 0.326E-01
DAV: 15 -0.383461821854E+03 0.22778E-02 -0.13382E-02 309 0.379E-01 0.207E-01
DAV: 16 -0.383467876381E+03 -0.60545E-02 -0.62677E-03 327 0.247E-01 0.195E-01
DAV: 17 -0.383475520054E+03 -0.76437E-02 -0.28946E-03 300 0.181E-01 0.169E-01
DAV: 18 -0.383482094933E+03 -0.65749E-02 -0.28771E-03 354 0.163E-01 0.120E-01
DAV: 19 -0.383490575424E+03 -0.84805E-02 -0.34403E-03 354 0.139E-01 0.147E-01
DAV: 20 -0.383490296584E+03 0.27884E-03 -0.29621E-03 327 0.812E-02 0.940E-02
DAV: 21 -0.383497553917E+03 -0.72573E-02 -0.67617E-04 300 0.737E-02 0.829E-02
DAV: 22 -0.383502105287E+03 -0.45514E-02 -0.58093E-04 327 0.542E-02 0.432E-02
DAV: 23 -0.383506011062E+03 -0.39058E-02 -0.21778E-04 309 0.369E-02 0.449E-02
DAV: 24 -0.383509874567E+03 -0.38635E-02 -0.20000E-04 309 0.332E-02 0.358E-02
DAV: 25 -0.383511138292E+03 -0.12637E-02 -0.72229E-05 318 0.189E-02 0.256E-02
DAV: 26 -0.383511883136E+03 -0.74484E-03 -0.47822E-05 318 0.147E-02 0.140E-02
DAV: 27 -0.383512989776E+03 -0.11066E-02 -0.57798E-05 309 0.154E-02 0.169E-02
DAV: 28 -0.383513491234E+03 -0.50146E-03 -0.27718E-05 264 0.104E-02 0.105E-02
DAV: 29 -0.383513643057E+03 -0.15182E-03 -0.82537E-06 246 0.698E-03 0.507E-03
DAV: 30 -0.383513772588E+03 -0.12953E-03 -0.46781E-06 201 0.504E-03 0.223E-03
DAV: 31 -0.383513860997E+03 -0.88408E-04 -0.33005E-06 219 0.365E-03 0.265E-03
DAV: 32 -0.383513893758E+03 -0.32761E-04 -0.12307E-06 228 0.252E-03 0.173E-03
DAV: 33 -0.383513923812E+03 -0.30055E-04 -0.12934E-06 210 0.222E-03 0.226E-03
DAV: 34 -0.383513938716E+03 -0.14903E-04 -0.74281E-07 228 0.191E-03 0.109E-03
DAV: 35 -0.383513947218E+03 -0.85022E-05 -0.49610E-07 210 0.125E-03
1 F= -.38351395E+03 E0= -.38353060E+03 d E =0.499631E-01