./iterations/neb0_image02_iter9_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 0.144816829740E+04 0.14482E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224502174692E+03 -0.12237E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362881402912E+03 -0.58738E+03 -0.58426E+03 345 0.114E+02
DAV: 4 -0.433473058575E+03 -0.70592E+02 -0.70355E+02 309 0.508E+01
DAV: 5 -0.435057125208E+03 -0.15841E+01 -0.15815E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389082211321E+03 0.45975E+02 -0.14803E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385604767461E+03 0.34774E+01 -0.13094E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384152445534E+03 0.14523E+01 -0.19924E+00 336 0.379E+00 0.435E+00
DAV: 9 -0.383604245022E+03 0.54820E+00 -0.15074E+00 354 0.241E+00 0.143E+00
DAV: 10 -0.383534224981E+03 0.70020E-01 -0.49565E-01 327 0.121E+00 0.102E+00
DAV: 11 -0.383505019297E+03 0.29206E-01 -0.94438E-02 327 0.592E-01 0.775E-01
DAV: 12 -0.383492062679E+03 0.12957E-01 -0.90860E-02 354 0.510E-01 0.653E-01
DAV: 13 -0.383465799217E+03 0.26263E-01 -0.28950E-02 318 0.429E-01 0.584E-01
DAV: 14 -0.383461677109E+03 0.41221E-02 -0.39977E-02 336 0.501E-01 0.797E-01
DAV: 15 -0.383455639220E+03 0.60379E-02 -0.21840E-02 327 0.378E-01 0.421E-01
DAV: 16 -0.383455911857E+03 -0.27264E-03 -0.69112E-03 327 0.273E-01 0.273E-01
DAV: 17 -0.383461868005E+03 -0.59561E-02 -0.11405E-02 300 0.254E-01 0.245E-01
DAV: 18 -0.383470647468E+03 -0.87795E-02 -0.51760E-03 336 0.182E-01 0.175E-01
DAV: 19 -0.383482967384E+03 -0.12320E-01 -0.29522E-03 282 0.169E-01 0.247E-01
DAV: 20 -0.383487938264E+03 -0.49709E-02 -0.19027E-03 354 0.140E-01 0.698E-02
DAV: 21 -0.383492661382E+03 -0.47231E-02 -0.48844E-04 309 0.603E-02 0.535E-02
DAV: 22 -0.383498322854E+03 -0.56615E-02 -0.30760E-04 300 0.359E-02 0.314E-02
DAV: 23 -0.383502659708E+03 -0.43369E-02 -0.21360E-04 309 0.286E-02 0.178E-02
DAV: 24 -0.383505010595E+03 -0.23509E-02 -0.11084E-04 300 0.213E-02 0.181E-02
DAV: 25 -0.383506168173E+03 -0.11576E-02 -0.45933E-05 309 0.134E-02 0.159E-02
DAV: 26 -0.383506806206E+03 -0.63803E-03 -0.21315E-05 246 0.949E-03 0.663E-03
DAV: 27 -0.383507270541E+03 -0.46433E-03 -0.21944E-05 255 0.939E-03 0.623E-03
DAV: 28 -0.383507407946E+03 -0.13741E-03 -0.37378E-06 237 0.526E-03 0.332E-03
DAV: 29 -0.383507491326E+03 -0.83380E-04 -0.28517E-06 219 0.340E-03 0.269E-03
DAV: 30 -0.383507548173E+03 -0.56847E-04 -0.15247E-06 210 0.292E-03 0.132E-03
DAV: 31 -0.383507580756E+03 -0.32583E-04 -0.13827E-06 210 0.256E-03 0.148E-03
DAV: 32 -0.383507593400E+03 -0.12644E-04 -0.61800E-07 228 0.169E-03 0.988E-04
DAV: 33 -0.383507599461E+03 -0.60610E-05 -0.29389E-07 219 0.108E-03
1 F= -.38350760E+03 E0= -.38352408E+03 d E =0.494313E-01