iterations/neb0_image03_iter53_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 0.144909839089E+04 0.14491E+04 -0.44198E+04 330 0.697E+02
DAV: 2 0.224548887824E+03 -0.12245E+04 -0.11485E+04 435 0.163E+02
DAV: 3 -0.362617743142E+03 -0.58717E+03 -0.58388E+03 345 0.114E+02
DAV: 4 -0.433431281479E+03 -0.70814E+02 -0.70586E+02 309 0.509E+01
DAV: 5 -0.435021280084E+03 -0.15900E+01 -0.15873E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389006159862E+03 0.46015E+02 -0.14807E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385545664895E+03 0.34605E+01 -0.13535E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384081161760E+03 0.14645E+01 -0.23898E+00 345 0.387E+00 0.439E+00
DAV: 9 -0.383546305453E+03 0.53486E+00 -0.17342E+00 345 0.241E+00 0.144E+00
DAV: 10 -0.383454550921E+03 0.91755E-01 -0.24592E-01 327 0.117E+00 0.103E+00
DAV: 11 -0.383429455779E+03 0.25095E-01 -0.15474E-01 354 0.742E-01 0.941E-01
DAV: 12 -0.383417405931E+03 0.12050E-01 -0.15034E-01 354 0.604E-01 0.102E+00
DAV: 13 -0.383397000635E+03 0.20405E-01 -0.16955E-01 372 0.509E-01 0.578E-01
DAV: 14 -0.383396779070E+03 0.22156E-03 -0.10994E-01 345 0.384E-01 0.756E-01
DAV: 15 -0.383380300374E+03 0.16479E-01 -0.22748E-02 318 0.403E-01 0.408E-01
DAV: 16 -0.383380607973E+03 -0.30760E-03 -0.12078E-02 309 0.333E-01 0.345E-01
DAV: 17 -0.383388600435E+03 -0.79925E-02 -0.92771E-03 309 0.267E-01 0.242E-01
DAV: 18 -0.383396895846E+03 -0.82954E-02 -0.32137E-03 300 0.165E-01 0.180E-01
DAV: 19 -0.383406710113E+03 -0.98143E-02 -0.14035E-03 309 0.120E-01 0.778E-02
DAV: 20 -0.383415069765E+03 -0.83597E-02 -0.11084E-03 318 0.986E-02 0.780E-02
DAV: 21 -0.383420068774E+03 -0.49990E-02 -0.50218E-04 327 0.617E-02 0.396E-02
DAV: 22 -0.383424169510E+03 -0.41007E-02 -0.14679E-04 300 0.271E-02 0.261E-02
DAV: 23 -0.383429283690E+03 -0.51142E-02 -0.32430E-04 291 0.335E-02 0.151E-02
DAV: 24 -0.383430680962E+03 -0.13973E-02 -0.61637E-05 327 0.151E-02 0.238E-02
DAV: 25 -0.383431706320E+03 -0.10254E-02 -0.43817E-05 282 0.159E-02 0.105E-02
DAV: 26 -0.383432282338E+03 -0.57602E-03 -0.25245E-05 273 0.101E-02 0.920E-03
DAV: 27 -0.383432437416E+03 -0.15508E-03 -0.41723E-06 237 0.497E-03 0.847E-03
DAV: 28 -0.383432662322E+03 -0.22491E-03 -0.11946E-05 210 0.819E-03 0.730E-03
DAV: 29 -0.383432697874E+03 -0.35553E-04 -0.25025E-06 237 0.417E-03 0.618E-03
DAV: 30 -0.383432750310E+03 -0.52436E-04 -0.18454E-06 192 0.355E-03 0.264E-03
DAV: 31 -0.383432786900E+03 -0.36590E-04 -0.17535E-06 228 0.315E-03 0.203E-03
DAV: 32 -0.383432804860E+03 -0.17961E-04 -0.62391E-07 201 0.196E-03 0.115E-03
DAV: 33 -0.383432814048E+03 -0.91874E-05 -0.55948E-07 228 0.199E-03
1 F= -.38343281E+03 E0= -.38344916E+03 d E =0.490328E-01