iterations/neb0_image06_iter66_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 0.144856328801E+04 0.14486E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.230984055120E+03 -0.12176E+04 -0.11407E+04 417 0.163E+02
DAV: 3 -0.363656973981E+03 -0.59464E+03 -0.59116E+03 354 0.114E+02
DAV: 4 -0.432888545398E+03 -0.69232E+02 -0.68964E+02 309 0.498E+01
DAV: 5 -0.434443379247E+03 -0.15548E+01 -0.15521E+01 336 0.772E+00 0.427E+01
DAV: 6 -0.388370503583E+03 0.46073E+02 -0.15013E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384905066334E+03 0.34654E+01 -0.13356E+01 336 0.780E+00 0.104E+01
DAV: 8 -0.383452327720E+03 0.14527E+01 -0.21580E+00 327 0.392E+00 0.440E+00
DAV: 9 -0.382907938183E+03 0.54439E+00 -0.17934E+00 345 0.245E+00 0.135E+00
DAV: 10 -0.382844072700E+03 0.63865E-01 -0.36461E-01 327 0.114E+00 0.858E-01
DAV: 11 -0.382809522059E+03 0.34551E-01 -0.57026E-02 336 0.602E-01 0.653E-01
DAV: 12 -0.382805869075E+03 0.36530E-02 -0.33061E-01 381 0.720E-01 0.883E-01
DAV: 13 -0.382772444943E+03 0.33424E-01 -0.46287E-02 327 0.518E-01 0.536E-01
DAV: 14 -0.382773283751E+03 -0.83881E-03 -0.66148E-02 345 0.438E-01 0.449E-01
DAV: 15 -0.382771604645E+03 0.16791E-02 -0.19060E-02 318 0.405E-01 0.144E-01
DAV: 16 -0.382777875426E+03 -0.62708E-02 -0.64258E-03 318 0.210E-01 0.119E-01
DAV: 17 -0.382784818142E+03 -0.69427E-02 -0.29738E-03 318 0.145E-01 0.153E-01
DAV: 18 -0.382797648341E+03 -0.12830E-01 -0.56998E-03 309 0.169E-01 0.164E-01
DAV: 19 -0.382802221679E+03 -0.45733E-02 -0.11105E-03 318 0.909E-02 0.137E-01
DAV: 20 -0.382807504771E+03 -0.52831E-02 -0.88623E-04 354 0.674E-02 0.380E-02
DAV: 21 -0.382811070509E+03 -0.35657E-02 -0.21784E-04 327 0.385E-02 0.271E-02
DAV: 22 -0.382815346495E+03 -0.42760E-02 -0.28037E-04 300 0.328E-02 0.355E-02
DAV: 23 -0.382818707290E+03 -0.33608E-02 -0.20077E-04 318 0.263E-02 0.275E-02
DAV: 24 -0.382819529422E+03 -0.82213E-03 -0.32798E-05 282 0.135E-02 0.134E-02
DAV: 25 -0.382820224199E+03 -0.69478E-03 -0.37518E-05 264 0.114E-02 0.737E-03
DAV: 26 -0.382820491306E+03 -0.26711E-03 -0.79652E-06 228 0.670E-03 0.927E-03
DAV: 27 -0.382820793197E+03 -0.30189E-03 -0.11536E-05 219 0.585E-03 0.421E-03
DAV: 28 -0.382820877687E+03 -0.84490E-04 -0.52771E-06 228 0.504E-03 0.337E-03
DAV: 29 -0.382820912276E+03 -0.34589E-04 -0.18273E-06 228 0.324E-03 0.164E-03
DAV: 30 -0.382820944815E+03 -0.32540E-04 -0.98247E-07 192 0.195E-03 0.121E-03
DAV: 31 -0.382820974224E+03 -0.29409E-04 -0.10293E-06 210 0.234E-03 0.122E-03
DAV: 32 -0.382820987494E+03 -0.13269E-04 -0.67306E-07 228 0.180E-03 0.125E-03
DAV: 33 -0.382820989959E+03 -0.24650E-05 -0.23071E-07 228 0.106E-03
1 F= -.38282099E+03 E0= -.38283333E+03 d E =0.370095E-01