./iterations/neb0_image09_iter3_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 0.145274531906E+04 0.14527E+04 -0.44277E+04 330 0.697E+02
DAV: 2 0.236584504885E+03 -0.12162E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.360133927776E+03 -0.59672E+03 -0.59267E+03 363 0.114E+02
DAV: 4 -0.431455677947E+03 -0.71322E+02 -0.71022E+02 318 0.496E+01
DAV: 5 -0.433023911221E+03 -0.15682E+01 -0.15655E+01 318 0.769E+00 0.426E+01
DAV: 6 -0.387446322715E+03 0.45578E+02 -0.14716E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.383984828584E+03 0.34615E+01 -0.12901E+01 336 0.785E+00 0.104E+01
DAV: 8 -0.382565685650E+03 0.14191E+01 -0.22647E+00 336 0.396E+00 0.429E+00
DAV: 9 -0.382039252013E+03 0.52643E+00 -0.10975E+00 327 0.227E+00 0.131E+00
DAV: 10 -0.381955637079E+03 0.83615E-01 -0.15422E-01 336 0.120E+00 0.833E-01
DAV: 11 -0.381924912543E+03 0.30725E-01 -0.45521E-02 327 0.596E-01 0.626E-01
DAV: 12 -0.381911497650E+03 0.13415E-01 -0.37624E-02 336 0.449E-01 0.461E-01
DAV: 13 -0.381892989306E+03 0.18508E-01 -0.17590E-02 309 0.438E-01 0.400E-01
DAV: 14 -0.381890311997E+03 0.26773E-02 -0.13869E-02 327 0.392E-01 0.264E-01
DAV: 15 -0.381893520102E+03 -0.32081E-02 -0.64154E-03 300 0.296E-01 0.182E-01
DAV: 16 -0.381904804782E+03 -0.11285E-01 -0.74863E-03 309 0.237E-01 0.200E-01
DAV: 17 -0.381913697158E+03 -0.88924E-02 -0.45155E-03 327 0.203E-01 0.146E-01
DAV: 18 -0.381921952013E+03 -0.82549E-02 -0.15996E-03 309 0.126E-01 0.480E-02
DAV: 19 -0.381926784652E+03 -0.48326E-02 -0.44476E-04 318 0.524E-02 0.459E-02
DAV: 20 -0.381931043749E+03 -0.42591E-02 -0.19911E-04 318 0.301E-02 0.278E-02
DAV: 21 -0.381937617006E+03 -0.65733E-02 -0.40678E-04 291 0.361E-02 0.181E-02
DAV: 22 -0.381939651326E+03 -0.20343E-02 -0.97245E-05 318 0.184E-02 0.130E-02
DAV: 23 -0.381941434864E+03 -0.17835E-02 -0.86084E-05 273 0.160E-02 0.781E-03
DAV: 24 -0.381942322758E+03 -0.88789E-03 -0.35115E-05 282 0.110E-02 0.833E-03
DAV: 25 -0.381942793067E+03 -0.47031E-03 -0.19185E-05 228 0.849E-03 0.238E-03
DAV: 26 -0.381942926640E+03 -0.13357E-03 -0.39197E-06 237 0.415E-03 0.166E-03
DAV: 27 -0.381943073848E+03 -0.14721E-03 -0.53773E-06 192 0.432E-03 0.207E-03
DAV: 28 -0.381943102954E+03 -0.29106E-04 -0.15133E-06 228 0.258E-03 0.923E-04
DAV: 29 -0.381943125870E+03 -0.22916E-04 -0.96788E-07 210 0.208E-03 0.801E-04
DAV: 30 -0.381943143059E+03 -0.17189E-04 -0.68962E-07 210 0.158E-03 0.555E-04
DAV: 31 -0.381943149039E+03 -0.59801E-05 -0.26901E-07 228 0.968E-04
1 F= -.38194315E+03 E0= -.38196048E+03 d E =0.519836E-01