iterations/neb0_image03_iter45_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 0.144914649535E+04 0.14491E+04 -0.44200E+04 330 0.697E+02
DAV: 2 0.224549560889E+03 -0.12246E+04 -0.11484E+04 435 0.163E+02
DAV: 3 -0.362633836200E+03 -0.58718E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433465469014E+03 -0.70832E+02 -0.70605E+02 309 0.509E+01
DAV: 5 -0.435057351877E+03 -0.15919E+01 -0.15892E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389050297796E+03 0.46007E+02 -0.14815E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385572908399E+03 0.34774E+01 -0.13032E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384127782699E+03 0.14451E+01 -0.20430E+00 327 0.383E+00 0.440E+00
DAV: 9 -0.383589501806E+03 0.53828E+00 -0.17868E+00 345 0.248E+00 0.141E+00
DAV: 10 -0.383512193368E+03 0.77308E-01 -0.39459E-01 327 0.117E+00 0.125E+00
DAV: 11 -0.383487411393E+03 0.24782E-01 -0.30570E-01 354 0.639E-01 0.791E-01
DAV: 12 -0.383459612580E+03 0.27799E-01 -0.36144E-02 318 0.452E-01 0.595E-01
DAV: 13 -0.383440379411E+03 0.19233E-01 -0.79631E-02 345 0.651E-01 0.736E-01
DAV: 14 -0.383430300129E+03 0.10079E-01 -0.15236E-02 327 0.409E-01 0.358E-01
DAV: 15 -0.383430272407E+03 0.27723E-04 -0.96917E-03 336 0.320E-01 0.425E-01
DAV: 16 -0.383429874254E+03 0.39815E-03 -0.14710E-02 336 0.310E-01 0.333E-01
DAV: 17 -0.383434050728E+03 -0.41765E-02 -0.88398E-03 300 0.243E-01 0.278E-01
DAV: 18 -0.383443850930E+03 -0.98002E-02 -0.34415E-03 300 0.175E-01 0.125E-01
DAV: 19 -0.383454052194E+03 -0.10201E-01 -0.22978E-03 309 0.143E-01 0.776E-02
DAV: 20 -0.383462904518E+03 -0.88523E-02 -0.11957E-03 327 0.106E-01 0.456E-02
DAV: 21 -0.383468887859E+03 -0.59833E-02 -0.30595E-04 309 0.456E-02 0.406E-02
DAV: 22 -0.383472237291E+03 -0.33494E-02 -0.13937E-04 327 0.268E-02 0.292E-02
DAV: 23 -0.383477045354E+03 -0.48081E-02 -0.35091E-04 309 0.369E-02 0.248E-02
DAV: 24 -0.383478030057E+03 -0.98470E-03 -0.39469E-05 300 0.160E-02 0.185E-02
DAV: 25 -0.383478768233E+03 -0.73818E-03 -0.34285E-05 291 0.140E-02 0.843E-03
DAV: 26 -0.383479509986E+03 -0.74175E-03 -0.30730E-05 273 0.107E-02 0.433E-03
DAV: 27 -0.383479743633E+03 -0.23365E-03 -0.54485E-06 237 0.505E-03 0.348E-03
DAV: 28 -0.383479955716E+03 -0.21208E-03 -0.66573E-06 201 0.501E-03 0.391E-03
DAV: 29 -0.383480051520E+03 -0.95804E-04 -0.41718E-06 228 0.443E-03 0.269E-03
DAV: 30 -0.383480081388E+03 -0.29868E-04 -0.14264E-06 228 0.354E-03 0.167E-03
DAV: 31 -0.383480102282E+03 -0.20894E-04 -0.22441E-06 201 0.371E-03 0.193E-03
DAV: 32 -0.383480110190E+03 -0.79078E-05 -0.47584E-07 228 0.205E-03
1 F= -.38348011E+03 E0= -.38349656E+03 d E =0.493405E-01