iterations/neb0_image04_iter20_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 0.144955648990E+04 0.14496E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225301824106E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362387155686E+03 -0.58769E+03 -0.58437E+03 345 0.114E+02
DAV: 4 -0.433307872652E+03 -0.70921E+02 -0.70660E+02 318 0.509E+01
DAV: 5 -0.434895142403E+03 -0.15873E+01 -0.15848E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389020896694E+03 0.45874E+02 -0.14760E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385572208076E+03 0.34487E+01 -0.13517E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384113013076E+03 0.14592E+01 -0.22687E+00 327 0.387E+00 0.436E+00
DAV: 9 -0.383572447603E+03 0.54057E+00 -0.16627E+00 327 0.244E+00 0.131E+00
DAV: 10 -0.383492629593E+03 0.79818E-01 -0.17574E-01 336 0.113E+00 0.919E-01
DAV: 11 -0.383458879794E+03 0.33750E-01 -0.91764E-02 345 0.729E-01 0.643E-01
DAV: 12 -0.383443317042E+03 0.15563E-01 -0.43363E-02 336 0.555E-01 0.661E-01
DAV: 13 -0.383428966142E+03 0.14351E-01 -0.13574E-02 327 0.363E-01 0.372E-01
DAV: 14 -0.383424032008E+03 0.49341E-02 -0.13590E-02 327 0.460E-01 0.617E-01
DAV: 15 -0.383419785864E+03 0.42461E-02 -0.27636E-02 336 0.354E-01 0.222E-01
DAV: 16 -0.383424473559E+03 -0.46877E-02 -0.46190E-03 291 0.222E-01 0.152E-01
DAV: 17 -0.383433217361E+03 -0.87438E-02 -0.48750E-03 318 0.168E-01 0.152E-01
DAV: 18 -0.383441753441E+03 -0.85361E-02 -0.25173E-03 291 0.150E-01 0.676E-02
DAV: 19 -0.383451154440E+03 -0.94010E-02 -0.16008E-03 318 0.111E-01 0.507E-02
DAV: 20 -0.383459169852E+03 -0.80154E-02 -0.12474E-03 327 0.773E-02 0.735E-02
DAV: 21 -0.383461188839E+03 -0.20190E-02 -0.65812E-04 318 0.422E-02 0.361E-02
DAV: 22 -0.383465394321E+03 -0.42055E-02 -0.23395E-04 291 0.337E-02 0.248E-02
DAV: 23 -0.383468045185E+03 -0.26509E-02 -0.16559E-04 327 0.244E-02 0.229E-02
DAV: 24 -0.383469872025E+03 -0.18268E-02 -0.70284E-05 291 0.187E-02 0.940E-03
DAV: 25 -0.383471147930E+03 -0.12759E-02 -0.70084E-05 300 0.161E-02 0.109E-02
DAV: 26 -0.383471582378E+03 -0.43445E-03 -0.10335E-05 237 0.776E-03 0.446E-03
DAV: 27 -0.383471975314E+03 -0.39294E-03 -0.20782E-05 228 0.944E-03 0.453E-03
DAV: 28 -0.383472111432E+03 -0.13612E-03 -0.28879E-06 237 0.451E-03 0.311E-03
DAV: 29 -0.383472213282E+03 -0.10185E-03 -0.56078E-06 210 0.614E-03 0.227E-03
DAV: 30 -0.383472244278E+03 -0.30996E-04 -0.12682E-06 228 0.283E-03 0.227E-03
DAV: 31 -0.383472268686E+03 -0.24408E-04 -0.82172E-07 201 0.237E-03 0.106E-03
DAV: 32 -0.383472295083E+03 -0.26397E-04 -0.15254E-06 201 0.317E-03 0.161E-03
DAV: 33 -0.383472301779E+03 -0.66957E-05 -0.39952E-07 228 0.189E-03
1 F= -.38347230E+03 E0= -.38348901E+03 d E =0.501378E-01