iterations/neb0_image02_iter1_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161783368732E+04 0.16178E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296801479869E+03 -0.13210E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357975289336E+03 -0.65478E+03 -0.65105E+03 364 0.123E+02
DAV: 4 -0.433475976952E+03 -0.75501E+02 -0.75187E+02 316 0.520E+01
DAV: 5 -0.435188188009E+03 -0.17122E+01 -0.17095E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389125505437E+03 0.46063E+02 -0.15034E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385610252806E+03 0.35153E+01 -0.12465E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384167009150E+03 0.14432E+01 -0.23391E+00 332 0.379E+00 0.428E+00
DAV: 9 -0.383584735062E+03 0.58227E+00 -0.76054E-01 324 0.204E+00 0.105E+00
DAV: 10 -0.383529733185E+03 0.55002E-01 -0.13042E-01 332 0.842E-01 0.807E-01
DAV: 11 -0.383514307689E+03 0.15425E-01 -0.11522E-01 332 0.501E-01 0.647E-01
DAV: 12 -0.383495000042E+03 0.19308E-01 -0.15072E-02 308 0.368E-01 0.526E-01
DAV: 13 -0.383490575747E+03 0.44243E-02 -0.18150E-01 340 0.487E-01 0.864E-01
DAV: 14 -0.383480916889E+03 0.96589E-02 -0.15601E-01 316 0.420E-01 0.467E-01
DAV: 15 -0.383483682029E+03 -0.27651E-02 -0.32868E-02 332 0.248E-01 0.228E-01
DAV: 16 -0.383491234438E+03 -0.75524E-02 -0.40309E-03 292 0.171E-01 0.119E-01
DAV: 17 -0.383505249472E+03 -0.14015E-01 -0.40971E-03 292 0.169E-01 0.137E-01
DAV: 18 -0.383517104451E+03 -0.11855E-01 -0.37794E-03 324 0.141E-01 0.796E-02
DAV: 19 -0.383524127876E+03 -0.70234E-02 -0.74807E-04 316 0.661E-02 0.546E-02
DAV: 20 -0.383530442099E+03 -0.63142E-02 -0.29666E-04 308 0.393E-02 0.348E-02
DAV: 21 -0.383536479236E+03 -0.60371E-02 -0.32170E-04 308 0.334E-02 0.263E-02
DAV: 22 -0.383540881364E+03 -0.44021E-02 -0.34390E-04 300 0.329E-02 0.172E-02
DAV: 23 -0.383541945510E+03 -0.10641E-02 -0.68048E-05 292 0.159E-02 0.123E-02
DAV: 24 -0.383542510384E+03 -0.56487E-03 -0.27030E-05 252 0.968E-03 0.398E-03
DAV: 25 -0.383542879707E+03 -0.36932E-03 -0.18243E-05 236 0.735E-03 0.294E-03
DAV: 26 -0.383542982910E+03 -0.10320E-03 -0.24508E-06 236 0.338E-03 0.198E-03
DAV: 27 -0.383543094123E+03 -0.11121E-03 -0.44794E-06 188 0.412E-03 0.181E-03
DAV: 28 -0.383543112299E+03 -0.18175E-04 -0.78874E-07 228 0.215E-03 0.151E-03
DAV: 29 -0.383543142397E+03 -0.30098E-04 -0.14152E-06 188 0.297E-03 0.120E-03
DAV: 30 -0.383543151544E+03 -0.91470E-05 -0.39566E-07 220 0.151E-03
1 F= -.38354315E+03 E0= -.38355598E+03 d E =0.384888E-01