./iterations/neb0_image03_iter22_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 0.144883458799E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224738966716E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362452867266E+03 -0.58719E+03 -0.58355E+03 345 0.114E+02
DAV: 4 -0.433386420716E+03 -0.70934E+02 -0.70701E+02 309 0.508E+01
DAV: 5 -0.434977059653E+03 -0.15906E+01 -0.15879E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389050764144E+03 0.45926E+02 -0.14793E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385606790782E+03 0.34440E+01 -0.13764E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384136937060E+03 0.14699E+01 -0.21285E+00 336 0.386E+00 0.434E+00
DAV: 9 -0.383598149218E+03 0.53879E+00 -0.16899E+00 336 0.244E+00 0.141E+00
DAV: 10 -0.383533049761E+03 0.65099E-01 -0.38379E-01 336 0.118E+00 0.105E+00
DAV: 11 -0.383502400397E+03 0.30649E-01 -0.21895E-01 345 0.671E-01 0.989E-01
DAV: 12 -0.383483190622E+03 0.19210E-01 -0.26364E-01 336 0.735E-01 0.932E-01
DAV: 13 -0.383467224355E+03 0.15966E-01 -0.18118E-01 354 0.552E-01 0.764E-01
DAV: 14 -0.383452666945E+03 0.14557E-01 -0.69320E-02 345 0.391E-01 0.429E-01
DAV: 15 -0.383449135965E+03 0.35310E-02 -0.32255E-02 309 0.416E-01 0.403E-01
DAV: 16 -0.383451123203E+03 -0.19872E-02 -0.19649E-02 345 0.291E-01 0.177E-01
DAV: 17 -0.383458014266E+03 -0.68911E-02 -0.90646E-03 291 0.199E-01 0.229E-01
DAV: 18 -0.383459644292E+03 -0.16300E-02 -0.20215E-03 318 0.103E-01 0.134E-01
DAV: 19 -0.383471774518E+03 -0.12130E-01 -0.29493E-03 291 0.173E-01 0.148E-01
DAV: 20 -0.383477596909E+03 -0.58224E-02 -0.12507E-03 318 0.104E-01 0.652E-02
DAV: 21 -0.383486256985E+03 -0.86601E-02 -0.64303E-04 327 0.693E-02 0.432E-02
DAV: 22 -0.383491864695E+03 -0.56077E-02 -0.36701E-04 309 0.460E-02 0.322E-02
DAV: 23 -0.383495004338E+03 -0.31396E-02 -0.18071E-04 300 0.277E-02 0.242E-02
DAV: 24 -0.383497785115E+03 -0.27808E-02 -0.16673E-04 300 0.246E-02 0.204E-02
DAV: 25 -0.383498798145E+03 -0.10130E-02 -0.40655E-05 291 0.126E-02 0.107E-02
DAV: 26 -0.383499475248E+03 -0.67710E-03 -0.25689E-05 264 0.954E-03 0.715E-03
DAV: 27 -0.383499755293E+03 -0.28004E-03 -0.75741E-06 237 0.541E-03 0.519E-03
DAV: 28 -0.383499986799E+03 -0.23151E-03 -0.74874E-06 219 0.501E-03 0.251E-03
DAV: 29 -0.383500093207E+03 -0.10641E-03 -0.35315E-06 228 0.379E-03 0.174E-03
DAV: 30 -0.383500159365E+03 -0.66157E-04 -0.21322E-06 210 0.289E-03 0.181E-03
DAV: 31 -0.383500184848E+03 -0.25484E-04 -0.11299E-06 228 0.233E-03 0.129E-03
DAV: 32 -0.383500208705E+03 -0.23857E-04 -0.10657E-06 201 0.208E-03 0.877E-04
DAV: 33 -0.383500212893E+03 -0.41875E-05 -0.33262E-07 228 0.126E-03
1 F= -.38350021E+03 E0= -.38351688E+03 d E =0.500022E-01