iterations/neb0_image08_iter75_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 0.144267577875E+04 0.14427E+04 -0.44222E+04 330 0.697E+02
DAV: 2 0.240963479309E+03 -0.12017E+04 -0.11278E+04 417 0.162E+02
DAV: 3 -0.343063562650E+03 -0.58403E+03 -0.57854E+03 354 0.113E+02
DAV: 4 -0.416046141311E+03 -0.72983E+02 -0.72370E+02 309 0.494E+01
DAV: 5 -0.417981377505E+03 -0.19352E+01 -0.19289E+01 354 0.810E+00 0.424E+01
DAV: 6 -0.373272447055E+03 0.44709E+02 -0.14639E+02 309 0.288E+01 0.208E+01
DAV: 7 -0.369858379859E+03 0.34141E+01 -0.11827E+01 336 0.826E+00 0.106E+01
DAV: 8 -0.368280875201E+03 0.15775E+01 -0.21066E+00 327 0.422E+00 0.425E+00
DAV: 9 -0.367726575390E+03 0.55430E+00 -0.64681E-01 327 0.227E+00 0.983E-01
DAV: 10 -0.367647758457E+03 0.78817E-01 -0.16184E-01 336 0.108E+00 0.729E-01
DAV: 11 -0.367613193261E+03 0.34565E-01 -0.27093E-02 345 0.500E-01 0.421E-01
DAV: 12 -0.367579110970E+03 0.34082E-01 -0.21137E-02 318 0.499E-01 0.247E-01
DAV: 13 -0.367571801051E+03 0.73099E-02 -0.18920E-02 336 0.477E-01 0.174E-01
DAV: 14 -0.367579623636E+03 -0.78226E-02 -0.10949E-02 336 0.372E-01 0.132E-01
DAV: 15 -0.367591484061E+03 -0.11860E-01 -0.39842E-03 309 0.228E-01 0.666E-02
DAV: 16 -0.367602261347E+03 -0.10777E-01 -0.32056E-03 318 0.176E-01 0.550E-02
DAV: 17 -0.367610660832E+03 -0.83995E-02 -0.14003E-03 327 0.102E-01 0.495E-02
DAV: 18 -0.367616303806E+03 -0.56430E-02 -0.24758E-04 309 0.357E-02 0.319E-02
DAV: 19 -0.367623417658E+03 -0.71139E-02 -0.48473E-04 318 0.376E-02 0.148E-02
DAV: 20 -0.367626731330E+03 -0.33137E-02 -0.22509E-04 318 0.291E-02 0.997E-03
DAV: 21 -0.367627851850E+03 -0.11205E-02 -0.43948E-05 291 0.139E-02 0.103E-02
DAV: 22 -0.367628790225E+03 -0.93838E-03 -0.47920E-05 282 0.154E-02 0.473E-03
DAV: 23 -0.367629122516E+03 -0.33229E-03 -0.96472E-06 219 0.712E-03 0.394E-03
DAV: 24 -0.367629347517E+03 -0.22500E-03 -0.96400E-06 210 0.679E-03 0.263E-03
DAV: 25 -0.367629433100E+03 -0.85583E-04 -0.31183E-06 219 0.423E-03 0.190E-03
DAV: 26 -0.367629491277E+03 -0.58178E-04 -0.27772E-06 201 0.423E-03 0.111E-03
DAV: 27 -0.367629524031E+03 -0.32753E-04 -0.14308E-06 210 0.238E-03 0.113E-03
DAV: 28 -0.367629543954E+03 -0.19923E-04 -0.84616E-07 210 0.195E-03 0.787E-04
DAV: 29 -0.367629556738E+03 -0.12784E-04 -0.65458E-07 219 0.164E-03 0.596E-04
DAV: 30 -0.367629560023E+03 -0.32857E-05 -0.22857E-07 228 0.114E-03
1 F= -.36762956E+03 E0= -.36763343E+03 d E =0.115958E-01