iterations/neb0_image05_iter21_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 0.145032419705E+04 0.14503E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.232526807690E+03 -0.12178E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.364884783709E+03 -0.59741E+03 -0.59413E+03 354 0.114E+02
DAV: 4 -0.433297846766E+03 -0.68413E+02 -0.68168E+02 318 0.494E+01
DAV: 5 -0.434796119991E+03 -0.14983E+01 -0.14958E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388950769590E+03 0.45845E+02 -0.14808E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385514480245E+03 0.34363E+01 -0.13361E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384043297824E+03 0.14712E+01 -0.20397E+00 345 0.384E+00 0.430E+00
DAV: 9 -0.383490122127E+03 0.55318E+00 -0.95978E-01 327 0.223E+00 0.106E+00
DAV: 10 -0.383428259827E+03 0.61862E-01 -0.11408E-01 336 0.969E-01 0.860E-01
DAV: 11 -0.383408212500E+03 0.20047E-01 -0.81969E-02 345 0.798E-01 0.940E-01
DAV: 12 -0.383382187546E+03 0.26025E-01 -0.93491E-02 327 0.484E-01 0.456E-01
DAV: 13 -0.383376310894E+03 0.58767E-02 -0.83194E-02 336 0.458E-01 0.573E-01
DAV: 14 -0.383364139667E+03 0.12171E-01 -0.10777E-02 309 0.359E-01 0.380E-01
DAV: 15 -0.383365661396E+03 -0.15217E-02 -0.16531E-02 300 0.402E-01 0.182E-01
DAV: 16 -0.383374702816E+03 -0.90414E-02 -0.48861E-03 318 0.222E-01 0.137E-01
DAV: 17 -0.383383101243E+03 -0.83984E-02 -0.28242E-03 282 0.120E-01 0.175E-01
DAV: 18 -0.383393580912E+03 -0.10480E-01 -0.60033E-03 309 0.163E-01 0.203E-01
DAV: 19 -0.383397323701E+03 -0.37428E-02 -0.26780E-03 354 0.109E-01 0.100E-01
DAV: 20 -0.383402207629E+03 -0.48839E-02 -0.58002E-04 300 0.654E-02 0.650E-02
DAV: 21 -0.383407070439E+03 -0.48628E-02 -0.36607E-04 372 0.549E-02 0.297E-02
DAV: 22 -0.383411722409E+03 -0.46520E-02 -0.23604E-04 309 0.352E-02 0.212E-02
DAV: 23 -0.383414987319E+03 -0.32649E-02 -0.19449E-04 300 0.251E-02 0.163E-02
DAV: 24 -0.383416334683E+03 -0.13474E-02 -0.65757E-05 291 0.150E-02 0.958E-03
DAV: 25 -0.383417250107E+03 -0.91542E-03 -0.46118E-05 291 0.141E-02 0.902E-03
DAV: 26 -0.383417492678E+03 -0.24257E-03 -0.88420E-06 237 0.749E-03 0.859E-03
DAV: 27 -0.383417635286E+03 -0.14261E-03 -0.43974E-06 210 0.506E-03 0.266E-03
DAV: 28 -0.383417757451E+03 -0.12216E-03 -0.57273E-06 219 0.601E-03 0.437E-03
DAV: 29 -0.383417799905E+03 -0.42454E-04 -0.14765E-06 228 0.311E-03 0.249E-03
DAV: 30 -0.383417844801E+03 -0.44897E-04 -0.24279E-06 210 0.406E-03 0.152E-03
DAV: 31 -0.383417857847E+03 -0.13046E-04 -0.60335E-07 228 0.218E-03 0.821E-04
DAV: 32 -0.383417869997E+03 -0.12150E-04 -0.66586E-07 210 0.185E-03 0.943E-04
DAV: 33 -0.383417875471E+03 -0.54738E-05 -0.18715E-07 228 0.128E-03
1 F= -.38341788E+03 E0= -.38343089E+03 d E =0.390397E-01