iterations/neb0_image03_iter16_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 0.144888955098E+04 0.14489E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224760954749E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362464594145E+03 -0.58723E+03 -0.58359E+03 345 0.114E+02
DAV: 4 -0.433393028618E+03 -0.70928E+02 -0.70697E+02 309 0.508E+01
DAV: 5 -0.434983810950E+03 -0.15908E+01 -0.15881E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389050643565E+03 0.45933E+02 -0.14794E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385602457647E+03 0.34482E+01 -0.13596E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384126698255E+03 0.14758E+01 -0.19748E+00 336 0.382E+00 0.430E+00
DAV: 9 -0.383580309828E+03 0.54639E+00 -0.10270E+00 327 0.229E+00 0.119E+00
DAV: 10 -0.383525265917E+03 0.55044E-01 -0.28615E-01 327 0.101E+00 0.115E+00
DAV: 11 -0.383497174379E+03 0.28092E-01 -0.23729E-01 327 0.615E-01 0.888E-01
DAV: 12 -0.383478189831E+03 0.18985E-01 -0.10430E-01 363 0.613E-01 0.109E+00
DAV: 13 -0.383460928168E+03 0.17262E-01 -0.12185E-01 381 0.479E-01 0.532E-01
DAV: 14 -0.383447032558E+03 0.13896E-01 -0.16409E-02 318 0.426E-01 0.409E-01
DAV: 15 -0.383445740705E+03 0.12919E-02 -0.19489E-02 318 0.248E-01 0.218E-01
DAV: 16 -0.383447840337E+03 -0.20996E-02 -0.72792E-03 300 0.269E-01 0.137E-01
DAV: 17 -0.383458554764E+03 -0.10714E-01 -0.39986E-03 327 0.217E-01 0.250E-01
DAV: 18 -0.383470156913E+03 -0.11602E-01 -0.37754E-03 291 0.223E-01 0.825E-02
DAV: 19 -0.383478295682E+03 -0.81388E-02 -0.27153E-03 327 0.142E-01 0.979E-02
DAV: 20 -0.383481525237E+03 -0.32296E-02 -0.30239E-04 327 0.440E-02 0.845E-02
DAV: 21 -0.383485644292E+03 -0.41191E-02 -0.13858E-04 309 0.265E-02 0.763E-02
DAV: 22 -0.383493911923E+03 -0.82676E-02 -0.73369E-04 309 0.604E-02 0.351E-02
DAV: 23 -0.383496734387E+03 -0.28225E-02 -0.18205E-04 309 0.311E-02 0.259E-02
DAV: 24 -0.383497432695E+03 -0.69831E-03 -0.45951E-05 318 0.153E-02 0.241E-02
DAV: 25 -0.383498259749E+03 -0.82705E-03 -0.38419E-05 273 0.146E-02 0.113E-02
DAV: 26 -0.383498994891E+03 -0.73514E-03 -0.29978E-05 282 0.118E-02 0.891E-03
DAV: 27 -0.383499447624E+03 -0.45273E-03 -0.13526E-05 219 0.765E-03 0.661E-03
DAV: 28 -0.383499638924E+03 -0.19130E-03 -0.90469E-06 237 0.590E-03 0.333E-03
DAV: 29 -0.383499761902E+03 -0.12298E-03 -0.37670E-06 210 0.467E-03 0.189E-03
DAV: 30 -0.383499841069E+03 -0.79167E-04 -0.33418E-06 219 0.360E-03 0.136E-03
DAV: 31 -0.383499866476E+03 -0.25406E-04 -0.12785E-06 228 0.235E-03 0.145E-03
DAV: 32 -0.383499892762E+03 -0.26287E-04 -0.11943E-06 192 0.215E-03 0.807E-04
DAV: 33 -0.383499897535E+03 -0.47728E-05 -0.41044E-07 228 0.134E-03
1 F= -.38349990E+03 E0= -.38351656E+03 d E =0.499736E-01