./iterations/neb0_image01_iter14_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 0.144727226879E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224172669751E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363091703189E+03 -0.58726E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433522649500E+03 -0.70431E+02 -0.70155E+02 318 0.508E+01
DAV: 5 -0.435094765706E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389103078836E+03 0.45992E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628584432E+03 0.34745E+01 -0.13506E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384150854044E+03 0.14777E+01 -0.20953E+00 327 0.381E+00 0.432E+00
DAV: 9 -0.383607669218E+03 0.54318E+00 -0.16893E+00 336 0.241E+00 0.138E+00
DAV: 10 -0.383543772008E+03 0.63897E-01 -0.36120E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383515333870E+03 0.28438E-01 -0.21122E-01 336 0.641E-01 0.969E-01
DAV: 12 -0.383493361158E+03 0.21973E-01 -0.24620E-01 327 0.712E-01 0.880E-01
DAV: 13 -0.383478639117E+03 0.14722E-01 -0.17175E-01 354 0.539E-01 0.741E-01
DAV: 14 -0.383464926068E+03 0.13713E-01 -0.52274E-02 345 0.396E-01 0.420E-01
DAV: 15 -0.383462344561E+03 0.25815E-02 -0.19685E-02 309 0.383E-01 0.310E-01
DAV: 16 -0.383467092288E+03 -0.47477E-02 -0.11715E-02 336 0.266E-01 0.202E-01
DAV: 17 -0.383473961382E+03 -0.68691E-02 -0.26539E-03 282 0.158E-01 0.164E-01
DAV: 18 -0.383483438500E+03 -0.94771E-02 -0.33507E-03 372 0.192E-01 0.147E-01
DAV: 19 -0.383490289991E+03 -0.68515E-02 -0.41652E-03 354 0.169E-01 0.140E-01
DAV: 20 -0.383493962486E+03 -0.36725E-02 -0.10862E-03 291 0.773E-02 0.145E-01
DAV: 21 -0.383495986639E+03 -0.20242E-02 -0.13487E-03 345 0.597E-02 0.139E-01
DAV: 22 -0.383503041734E+03 -0.70551E-02 -0.17331E-03 291 0.741E-02 0.822E-02
DAV: 23 -0.383504725363E+03 -0.16836E-02 -0.17241E-04 318 0.339E-02 0.434E-02
DAV: 24 -0.383507971859E+03 -0.32465E-02 -0.16256E-04 291 0.287E-02 0.334E-02
DAV: 25 -0.383510492132E+03 -0.25203E-02 -0.39051E-04 318 0.355E-02 0.436E-02
DAV: 26 -0.383511871459E+03 -0.13793E-02 -0.93915E-05 309 0.247E-02 0.249E-02
DAV: 27 -0.383512522317E+03 -0.65086E-03 -0.52338E-05 309 0.151E-02 0.107E-02
DAV: 28 -0.383513041560E+03 -0.51924E-03 -0.19724E-05 273 0.107E-02 0.902E-03
DAV: 29 -0.383513397416E+03 -0.35586E-03 -0.14578E-05 246 0.793E-03 0.531E-03
DAV: 30 -0.383513584040E+03 -0.18662E-03 -0.64627E-06 219 0.562E-03 0.545E-03
DAV: 31 -0.383513670492E+03 -0.86453E-04 -0.46043E-06 219 0.510E-03 0.441E-03
DAV: 32 -0.383513713670E+03 -0.43178E-04 -0.16184E-06 219 0.312E-03 0.355E-03
DAV: 33 -0.383513742095E+03 -0.28425E-04 -0.24912E-06 219 0.434E-03 0.157E-03
DAV: 34 -0.383513754447E+03 -0.12353E-04 -0.79106E-07 219 0.255E-03 0.108E-03
DAV: 35 -0.383513767896E+03 -0.13449E-04 -0.98753E-07 192 0.225E-03 0.196E-03
DAV: 36 -0.383513776045E+03 -0.81491E-05 -0.32390E-07 228 0.129E-03
1 F= -.38351378E+03 E0= -.38353044E+03 d E =0.499948E-01