./iterations/neb0_image03_iter11_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144888209359E+04 0.14489E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224746077631E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362473295706E+03 -0.58722E+03 -0.58361E+03 345 0.114E+02
DAV: 4 -0.433391453631E+03 -0.70918E+02 -0.70688E+02 309 0.508E+01
DAV: 5 -0.434981913684E+03 -0.15905E+01 -0.15877E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389048135221E+03 0.45934E+02 -0.14794E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385599882533E+03 0.34483E+01 -0.13534E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384121998306E+03 0.14779E+01 -0.19254E+00 336 0.381E+00 0.428E+00
DAV: 9 -0.383584089675E+03 0.53791E+00 -0.66750E-01 336 0.214E+00 0.107E+00
DAV: 10 -0.383505352362E+03 0.78737E-01 -0.11656E-01 318 0.958E-01 0.941E-01
DAV: 11 -0.383496492268E+03 0.88601E-02 -0.17018E-01 345 0.692E-01 0.107E+00
DAV: 12 -0.383473431254E+03 0.23061E-01 -0.10096E-01 318 0.545E-01 0.106E+00
DAV: 13 -0.383454918404E+03 0.18513E-01 -0.16164E-02 327 0.369E-01 0.395E-01
DAV: 14 -0.383446158689E+03 0.87597E-02 -0.31297E-02 327 0.391E-01 0.347E-01
DAV: 15 -0.383442467648E+03 0.36910E-02 -0.12217E-02 309 0.343E-01 0.234E-01
DAV: 16 -0.383449467559E+03 -0.69999E-02 -0.28523E-02 327 0.287E-01 0.380E-01
DAV: 17 -0.383453167738E+03 -0.37002E-02 -0.61367E-03 309 0.171E-01 0.204E-01
DAV: 18 -0.383464960563E+03 -0.11793E-01 -0.61807E-03 318 0.220E-01 0.194E-01
DAV: 19 -0.383473449110E+03 -0.84885E-02 -0.25351E-03 309 0.146E-01 0.123E-01
DAV: 20 -0.383481752531E+03 -0.83034E-02 -0.93907E-04 336 0.784E-02 0.796E-02
DAV: 21 -0.383488487843E+03 -0.67353E-02 -0.46112E-04 327 0.530E-02 0.266E-02
DAV: 22 -0.383492016635E+03 -0.35288E-02 -0.16675E-04 327 0.302E-02 0.257E-02
DAV: 23 -0.383494536372E+03 -0.25197E-02 -0.94850E-05 282 0.192E-02 0.324E-02
DAV: 24 -0.383497195531E+03 -0.26592E-02 -0.15923E-04 300 0.228E-02 0.144E-02
DAV: 25 -0.383497981107E+03 -0.78558E-03 -0.40531E-05 300 0.128E-02 0.924E-03
DAV: 26 -0.383498383899E+03 -0.40279E-03 -0.10424E-05 228 0.836E-03 0.850E-03
DAV: 27 -0.383498638017E+03 -0.25412E-03 -0.11938E-05 228 0.683E-03 0.542E-03
DAV: 28 -0.383498770617E+03 -0.13260E-03 -0.43021E-06 219 0.441E-03 0.310E-03
DAV: 29 -0.383498845760E+03 -0.75143E-04 -0.22669E-06 228 0.356E-03 0.225E-03
DAV: 30 -0.383498901998E+03 -0.56238E-04 -0.24730E-06 201 0.341E-03 0.146E-03
DAV: 31 -0.383498927927E+03 -0.25929E-04 -0.93451E-07 228 0.221E-03 0.124E-03
DAV: 32 -0.383498941405E+03 -0.13478E-04 -0.66557E-07 210 0.185E-03 0.939E-04
DAV: 33 -0.383498950106E+03 -0.87004E-05 -0.31662E-07 219 0.140E-03
1 F= -.38349895E+03 E0= -.38351553E+03 d E =0.497511E-01