iterations/neb0_image01_iter23_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 0.161676200513E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296195427105E+03 -0.13206E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358079271112E+03 -0.65427E+03 -0.65072E+03 364 0.123E+02
DAV: 4 -0.433524916359E+03 -0.75446E+02 -0.75142E+02 308 0.519E+01
DAV: 5 -0.435235825092E+03 -0.17109E+01 -0.17080E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389149087008E+03 0.46087E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385621307780E+03 0.35278E+01 -0.12415E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384172444931E+03 0.14489E+01 -0.26516E+00 332 0.385E+00 0.434E+00
DAV: 9 -0.383614675689E+03 0.55777E+00 -0.98814E-01 324 0.205E+00 0.111E+00
DAV: 10 -0.383535862255E+03 0.78813E-01 -0.16112E-01 340 0.983E-01 0.799E-01
DAV: 11 -0.383513014191E+03 0.22848E-01 -0.52627E-02 308 0.485E-01 0.627E-01
DAV: 12 -0.383502339278E+03 0.10675E-01 -0.22645E-01 356 0.551E-01 0.535E-01
DAV: 13 -0.383492849332E+03 0.94899E-02 -0.13084E-02 308 0.317E-01 0.521E-01
DAV: 14 -0.383489367183E+03 0.34821E-02 -0.60497E-02 316 0.421E-01 0.530E-01
DAV: 15 -0.383490055885E+03 -0.68870E-03 -0.29502E-02 348 0.267E-01 0.348E-01
DAV: 16 -0.383493853208E+03 -0.37973E-02 -0.30337E-03 300 0.149E-01 0.155E-01
DAV: 17 -0.383501579410E+03 -0.77262E-02 -0.38351E-03 308 0.154E-01 0.126E-01
DAV: 18 -0.383514035890E+03 -0.12456E-01 -0.69635E-03 292 0.188E-01 0.215E-01
DAV: 19 -0.383517447899E+03 -0.34120E-02 -0.28347E-03 316 0.119E-01 0.170E-01
DAV: 20 -0.383521898869E+03 -0.44510E-02 -0.10438E-03 292 0.732E-02 0.189E-01
DAV: 21 -0.383528618377E+03 -0.67195E-02 -0.12959E-03 348 0.847E-02 0.797E-02
DAV: 22 -0.383533043480E+03 -0.44251E-02 -0.42361E-04 316 0.538E-02 0.917E-02
DAV: 23 -0.383537222954E+03 -0.41795E-02 -0.62842E-04 356 0.561E-02 0.362E-02
DAV: 24 -0.383539651273E+03 -0.24283E-02 -0.11878E-04 308 0.266E-02 0.326E-02
DAV: 25 -0.383541389786E+03 -0.17385E-02 -0.71060E-05 276 0.181E-02 0.289E-02
DAV: 26 -0.383543740448E+03 -0.23507E-02 -0.17157E-04 292 0.230E-02 0.243E-02
DAV: 27 -0.383544360080E+03 -0.61963E-03 -0.28754E-05 260 0.116E-02 0.904E-03
DAV: 28 -0.383544930630E+03 -0.57055E-03 -0.34876E-05 268 0.117E-02 0.979E-03
DAV: 29 -0.383545175857E+03 -0.24523E-03 -0.10347E-05 228 0.638E-03 0.419E-03
DAV: 30 -0.383545265279E+03 -0.89422E-04 -0.32398E-06 228 0.343E-03 0.351E-03
DAV: 31 -0.383545353008E+03 -0.87729E-04 -0.38521E-06 212 0.360E-03 0.271E-03
DAV: 32 -0.383545384057E+03 -0.31049E-04 -0.15130E-06 228 0.234E-03 0.168E-03
DAV: 33 -0.383545402492E+03 -0.18435E-04 -0.74290E-07 212 0.161E-03 0.892E-04
DAV: 34 -0.383545415528E+03 -0.13036E-04 -0.59670E-07 220 0.148E-03 0.123E-03
DAV: 35 -0.383545418543E+03 -0.30159E-05 -0.21592E-07 228 0.993E-04
1 F= -.38354542E+03 E0= -.38356261E+03 d E =0.515794E-01