iterations/neb0_image05_iter18_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 0.161962513663E+04 0.16196E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.300065338845E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358411475781E+03 -0.65848E+03 -0.65496E+03 364 0.123E+02
DAV: 4 -0.433362877521E+03 -0.74951E+02 -0.74675E+02 308 0.527E+01
DAV: 5 -0.435026641827E+03 -0.16638E+01 -0.16611E+01 332 0.807E+00 0.426E+01
DAV: 6 -0.389020673757E+03 0.46006E+02 -0.14969E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385518061373E+03 0.35026E+01 -0.12545E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.384096566841E+03 0.14215E+01 -0.27796E+00 340 0.390E+00 0.435E+00
DAV: 9 -0.383543593517E+03 0.55297E+00 -0.91782E-01 324 0.205E+00 0.114E+00
DAV: 10 -0.383472847439E+03 0.70746E-01 -0.24575E-01 340 0.101E+00 0.875E-01
DAV: 11 -0.383448320445E+03 0.24527E-01 -0.41401E-02 316 0.506E-01 0.616E-01
DAV: 12 -0.383433102093E+03 0.15218E-01 -0.14593E-01 316 0.514E-01 0.456E-01
DAV: 13 -0.383424981437E+03 0.81207E-02 -0.19492E-02 316 0.345E-01 0.461E-01
DAV: 14 -0.383425007765E+03 -0.26328E-04 -0.71197E-02 324 0.385E-01 0.574E-01
DAV: 15 -0.383425721921E+03 -0.71416E-03 -0.36540E-02 356 0.319E-01 0.278E-01
DAV: 16 -0.383432389144E+03 -0.66672E-02 -0.50163E-03 292 0.166E-01 0.138E-01
DAV: 17 -0.383439732432E+03 -0.73433E-02 -0.16073E-03 308 0.105E-01 0.864E-02
DAV: 18 -0.383453493647E+03 -0.13761E-01 -0.37747E-03 284 0.148E-01 0.112E-01
DAV: 19 -0.383459573665E+03 -0.60800E-02 -0.15211E-03 324 0.106E-01 0.862E-02
DAV: 20 -0.383465966603E+03 -0.63929E-02 -0.49829E-04 292 0.542E-02 0.610E-02
DAV: 21 -0.383472089218E+03 -0.61226E-02 -0.45640E-04 348 0.459E-02 0.391E-02
DAV: 22 -0.383474803054E+03 -0.27138E-02 -0.23076E-04 332 0.326E-02 0.224E-02
DAV: 23 -0.383476935507E+03 -0.21325E-02 -0.79861E-05 308 0.180E-02 0.163E-02
DAV: 24 -0.383478742650E+03 -0.18071E-02 -0.95267E-05 292 0.172E-02 0.146E-02
DAV: 25 -0.383479305240E+03 -0.56259E-03 -0.31155E-05 260 0.973E-03 0.743E-03
DAV: 26 -0.383479674328E+03 -0.36909E-03 -0.18414E-05 236 0.860E-03 0.310E-03
DAV: 27 -0.383479815818E+03 -0.14149E-03 -0.42978E-06 228 0.438E-03 0.365E-03
DAV: 28 -0.383479903433E+03 -0.87615E-04 -0.26537E-06 212 0.360E-03 0.213E-03
DAV: 29 -0.383479969382E+03 -0.65950E-04 -0.29267E-06 220 0.343E-03 0.108E-03
DAV: 30 -0.383479991393E+03 -0.22011E-04 -0.82514E-07 228 0.230E-03 0.872E-04
DAV: 31 -0.383480009747E+03 -0.18354E-04 -0.66687E-07 212 0.148E-03 0.111E-03
DAV: 32 -0.383480020467E+03 -0.10720E-04 -0.41840E-07 220 0.154E-03 0.448E-04
DAV: 33 -0.383480025772E+03 -0.53044E-05 -0.24464E-07 228 0.112E-03
1 F= -.38348003E+03 E0= -.38349324E+03 d E =0.396361E-01