iterations/neb0_image01_iter27_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 0.161669603641E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296207232021E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358053159735E+03 -0.65426E+03 -0.65070E+03 364 0.123E+02
DAV: 4 -0.433517283917E+03 -0.75464E+02 -0.75161E+02 308 0.519E+01
DAV: 5 -0.435229180498E+03 -0.17119E+01 -0.17090E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389147602158E+03 0.46082E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385619556582E+03 0.35280E+01 -0.12382E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384165366544E+03 0.14542E+01 -0.24688E+00 332 0.382E+00 0.430E+00
DAV: 9 -0.383586974192E+03 0.57839E+00 -0.63308E-01 324 0.194E+00 0.994E-01
DAV: 10 -0.383536446920E+03 0.50527E-01 -0.20389E-01 332 0.979E-01 0.849E-01
DAV: 11 -0.383513809936E+03 0.22637E-01 -0.33020E-02 324 0.477E-01 0.577E-01
DAV: 12 -0.383499659282E+03 0.14151E-01 -0.59399E-02 324 0.436E-01 0.498E-01
DAV: 13 -0.383486529618E+03 0.13130E-01 -0.46420E-02 308 0.452E-01 0.395E-01
DAV: 14 -0.383485719580E+03 0.81004E-03 -0.22294E-02 316 0.283E-01 0.173E-01
DAV: 15 -0.383491033396E+03 -0.53138E-02 -0.81307E-03 308 0.245E-01 0.171E-01
DAV: 16 -0.383504503938E+03 -0.13471E-01 -0.91615E-03 316 0.207E-01 0.118E-01
DAV: 17 -0.383516975877E+03 -0.12472E-01 -0.36084E-03 300 0.155E-01 0.188E-01
DAV: 18 -0.383523634377E+03 -0.66585E-02 -0.15372E-03 316 0.114E-01 0.969E-02
DAV: 19 -0.383528525248E+03 -0.48909E-02 -0.36436E-04 316 0.571E-02 0.432E-02
DAV: 20 -0.383536933697E+03 -0.84084E-02 -0.73620E-04 308 0.594E-02 0.327E-02
DAV: 21 -0.383541661797E+03 -0.47281E-02 -0.22785E-04 324 0.319E-02 0.276E-02
DAV: 22 -0.383543541826E+03 -0.18800E-02 -0.88099E-05 316 0.235E-02 0.153E-02
DAV: 23 -0.383545711245E+03 -0.21694E-02 -0.12846E-04 300 0.228E-02 0.983E-03
DAV: 24 -0.383546273371E+03 -0.56213E-03 -0.17352E-05 244 0.934E-03 0.894E-03
DAV: 25 -0.383546835957E+03 -0.56259E-03 -0.31735E-05 252 0.114E-02 0.470E-03
DAV: 26 -0.383546998900E+03 -0.16294E-03 -0.66426E-06 228 0.620E-03 0.302E-03
DAV: 27 -0.383547077968E+03 -0.79068E-04 -0.26143E-06 228 0.401E-03 0.228E-03
DAV: 28 -0.383547154697E+03 -0.76729E-04 -0.31535E-06 196 0.429E-03 0.134E-03
DAV: 29 -0.383547184093E+03 -0.29396E-04 -0.11315E-06 220 0.263E-03 0.851E-04
DAV: 30 -0.383547206609E+03 -0.22516E-04 -0.12908E-06 212 0.261E-03 0.983E-04
DAV: 31 -0.383547213057E+03 -0.64481E-05 -0.33738E-07 220 0.166E-03
1 F= -.38354721E+03 E0= -.38356046E+03 d E =0.397298E-01