iterations/neb0_image04_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 0.144954021699E+04 0.14495E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225307385450E+03 -0.12242E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362375360768E+03 -0.58768E+03 -0.58436E+03 345 0.114E+02
DAV: 4 -0.433303816931E+03 -0.70928E+02 -0.70668E+02 318 0.509E+01
DAV: 5 -0.434891178177E+03 -0.15874E+01 -0.15849E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389019896306E+03 0.45871E+02 -0.14759E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385571855664E+03 0.34480E+01 -0.13523E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384112917689E+03 0.14589E+01 -0.22708E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383571821379E+03 0.54110E+00 -0.16625E+00 327 0.244E+00 0.131E+00
DAV: 10 -0.383491921028E+03 0.79900E-01 -0.17268E-01 336 0.113E+00 0.918E-01
DAV: 11 -0.383457571935E+03 0.34349E-01 -0.86840E-02 345 0.745E-01 0.641E-01
DAV: 12 -0.383440768945E+03 0.16803E-01 -0.23332E-02 327 0.527E-01 0.726E-01
DAV: 13 -0.383431457729E+03 0.93112E-02 -0.52606E-02 354 0.370E-01 0.611E-01
DAV: 14 -0.383426732436E+03 0.47253E-02 -0.70327E-02 345 0.497E-01 0.781E-01
DAV: 15 -0.383418754776E+03 0.79777E-02 -0.24866E-02 336 0.370E-01 0.307E-01
DAV: 16 -0.383422392829E+03 -0.36381E-02 -0.92028E-03 318 0.268E-01 0.179E-01
DAV: 17 -0.383427121998E+03 -0.47292E-02 -0.28538E-03 327 0.136E-01 0.110E-01
DAV: 18 -0.383441809539E+03 -0.14688E-01 -0.83078E-03 282 0.181E-01 0.232E-01
DAV: 19 -0.383444931404E+03 -0.31219E-02 -0.31020E-03 327 0.102E-01 0.821E-02
DAV: 20 -0.383452987559E+03 -0.80562E-02 -0.61291E-04 318 0.762E-02 0.450E-02
DAV: 21 -0.383460134869E+03 -0.71473E-02 -0.49130E-04 327 0.660E-02 0.325E-02
DAV: 22 -0.383464563586E+03 -0.44287E-02 -0.24100E-04 327 0.389E-02 0.207E-02
DAV: 23 -0.383467865905E+03 -0.33023E-02 -0.15974E-04 309 0.264E-02 0.143E-02
DAV: 24 -0.383469576174E+03 -0.17103E-02 -0.53916E-05 300 0.148E-02 0.112E-02
DAV: 25 -0.383470743608E+03 -0.11674E-02 -0.58842E-05 291 0.165E-02 0.713E-03
DAV: 26 -0.383471145627E+03 -0.40202E-03 -0.81133E-06 237 0.839E-03 0.524E-03
DAV: 27 -0.383471540689E+03 -0.39506E-03 -0.24850E-05 237 0.974E-03 0.436E-03
DAV: 28 -0.383471637689E+03 -0.97000E-04 -0.24546E-06 237 0.502E-03 0.252E-03
DAV: 29 -0.383471718861E+03 -0.81172E-04 -0.52880E-06 210 0.621E-03 0.301E-03
DAV: 30 -0.383471760754E+03 -0.41893E-04 -0.14107E-06 228 0.317E-03 0.236E-03
DAV: 31 -0.383471789817E+03 -0.29063E-04 -0.11111E-06 201 0.243E-03 0.145E-03
DAV: 32 -0.383471804166E+03 -0.14349E-04 -0.91465E-07 228 0.271E-03 0.709E-04
DAV: 33 -0.383471811573E+03 -0.74070E-05 -0.41053E-07 210 0.144E-03
1 F= -.38347181E+03 E0= -.38348854E+03 d E =0.501742E-01