iterations/neb0_image08_iter4_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150951495313E+04 0.15095E+04 -0.43566E+04 322 0.697E+02
DAV: 2 0.254188734496E+03 -0.12553E+04 -0.11780E+04 420 0.164E+02
DAV: 3 -0.353755653280E+03 -0.60794E+03 -0.60368E+03 348 0.117E+02
DAV: 4 -0.432445068088E+03 -0.78689E+02 -0.78334E+02 316 0.535E+01
DAV: 5 -0.434290099916E+03 -0.18450E+01 -0.18420E+01 332 0.826E+00 0.427E+01
DAV: 6 -0.388352263386E+03 0.45938E+02 -0.14864E+02 316 0.285E+01 0.209E+01
DAV: 7 -0.384829890061E+03 0.35224E+01 -0.12551E+01 340 0.775E+00 0.104E+01
DAV: 8 -0.383412469181E+03 0.14174E+01 -0.26878E+00 332 0.394E+00 0.427E+00
DAV: 9 -0.382855882660E+03 0.55659E+00 -0.60607E-01 324 0.194E+00 0.103E+00
DAV: 10 -0.382800970245E+03 0.54912E-01 -0.28337E-01 332 0.112E+00 0.105E+00
DAV: 11 -0.382786088269E+03 0.14882E-01 -0.18677E-01 316 0.532E-01 0.703E-01
DAV: 12 -0.382771947750E+03 0.14141E-01 -0.20629E-02 308 0.337E-01 0.487E-01
DAV: 13 -0.382759986795E+03 0.11961E-01 -0.10967E-01 308 0.511E-01 0.623E-01
DAV: 14 -0.382754901225E+03 0.50856E-02 -0.42034E-02 324 0.270E-01 0.318E-01
DAV: 15 -0.382758061003E+03 -0.31598E-02 -0.64792E-03 300 0.240E-01 0.206E-01
DAV: 16 -0.382766441235E+03 -0.83802E-02 -0.37793E-03 316 0.182E-01 0.133E-01
DAV: 17 -0.382780812231E+03 -0.14371E-01 -0.44764E-03 276 0.181E-01 0.119E-01
DAV: 18 -0.382789795441E+03 -0.89832E-02 -0.26289E-03 316 0.139E-01 0.736E-02
DAV: 19 -0.382795313232E+03 -0.55178E-02 -0.50050E-04 340 0.613E-02 0.653E-02
DAV: 20 -0.382800919589E+03 -0.56064E-02 -0.31370E-04 292 0.388E-02 0.363E-02
DAV: 21 -0.382806504781E+03 -0.55852E-02 -0.30891E-04 308 0.344E-02 0.252E-02
DAV: 22 -0.382809659462E+03 -0.31547E-02 -0.15830E-04 308 0.292E-02 0.158E-02
DAV: 23 -0.382811335118E+03 -0.16757E-02 -0.73318E-05 308 0.180E-02 0.139E-02
DAV: 24 -0.382812594730E+03 -0.12596E-02 -0.61230E-05 284 0.160E-02 0.570E-03
DAV: 25 -0.382813102871E+03 -0.50814E-03 -0.18812E-05 244 0.885E-03 0.452E-03
DAV: 26 -0.382813400416E+03 -0.29755E-03 -0.12511E-05 228 0.722E-03 0.477E-03
DAV: 27 -0.382813538298E+03 -0.13788E-03 -0.54976E-06 228 0.454E-03 0.260E-03
DAV: 28 -0.382813607088E+03 -0.68790E-04 -0.31074E-06 212 0.456E-03 0.142E-03
DAV: 29 -0.382813648503E+03 -0.41415E-04 -0.24699E-06 220 0.349E-03 0.168E-03
DAV: 30 -0.382813658356E+03 -0.98531E-05 -0.83329E-07 228 0.238E-03
1 F= -.38281366E+03 E0= -.38282720E+03 d E =0.406290E-01