iterations/neb0_image03_iter15_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 0.161851228770E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297612882898E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357362065078E+03 -0.65497E+03 -0.65137E+03 364 0.123E+02
DAV: 4 -0.433425083481E+03 -0.76063E+02 -0.75744E+02 316 0.521E+01
DAV: 5 -0.435163761531E+03 -0.17387E+01 -0.17365E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389096314219E+03 0.46067E+02 -0.15142E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385597994249E+03 0.34983E+01 -0.12337E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384153136057E+03 0.14449E+01 -0.25594E+00 332 0.386E+00 0.431E+00
DAV: 9 -0.383591307184E+03 0.56183E+00 -0.74866E-01 324 0.198E+00 0.119E+00
DAV: 10 -0.383541781452E+03 0.49526E-01 -0.55393E-01 348 0.108E+00 0.800E-01
DAV: 11 -0.383515464808E+03 0.26317E-01 -0.32040E-02 324 0.488E-01 0.661E-01
DAV: 12 -0.383492309065E+03 0.23156E-01 -0.12196E-01 372 0.664E-01 0.776E-01
DAV: 13 -0.383487038070E+03 0.52710E-02 -0.11225E-01 356 0.416E-01 0.742E-01
DAV: 14 -0.383479744722E+03 0.72933E-02 -0.11848E-01 332 0.370E-01 0.308E-01
DAV: 15 -0.383482422646E+03 -0.26779E-02 -0.99445E-03 316 0.235E-01 0.333E-01
DAV: 16 -0.383491915116E+03 -0.94925E-02 -0.23943E-02 308 0.276E-01 0.227E-01
DAV: 17 -0.383501471480E+03 -0.95564E-02 -0.42107E-03 316 0.194E-01 0.152E-01
DAV: 18 -0.383507938284E+03 -0.64668E-02 -0.11599E-03 284 0.944E-02 0.103E-01
DAV: 19 -0.383518624523E+03 -0.10686E-01 -0.16238E-03 300 0.842E-02 0.793E-02
DAV: 20 -0.383525159225E+03 -0.65347E-02 -0.58828E-04 316 0.612E-02 0.646E-02
DAV: 21 -0.383529020942E+03 -0.38617E-02 -0.36284E-04 380 0.610E-02 0.472E-02
DAV: 22 -0.383533912376E+03 -0.48914E-02 -0.33264E-04 308 0.387E-02 0.334E-02
DAV: 23 -0.383535729372E+03 -0.18170E-02 -0.10951E-04 316 0.214E-02 0.153E-02
DAV: 24 -0.383537572286E+03 -0.18429E-02 -0.13470E-04 324 0.283E-02 0.126E-02
DAV: 25 -0.383538353532E+03 -0.78125E-03 -0.30026E-05 284 0.132E-02 0.903E-03
DAV: 26 -0.383538663016E+03 -0.30948E-03 -0.95925E-06 220 0.678E-03 0.802E-03
DAV: 27 -0.383539047926E+03 -0.38491E-03 -0.20351E-05 228 0.763E-03 0.353E-03
DAV: 28 -0.383539120434E+03 -0.72508E-04 -0.24743E-06 236 0.353E-03 0.205E-03
DAV: 29 -0.383539189831E+03 -0.69397E-04 -0.18321E-06 188 0.277E-03 0.136E-03
DAV: 30 -0.383539239142E+03 -0.49311E-04 -0.13110E-06 220 0.213E-03 0.909E-04
DAV: 31 -0.383539266677E+03 -0.27535E-04 -0.90976E-07 212 0.198E-03 0.673E-04
DAV: 32 -0.383539280288E+03 -0.13612E-04 -0.58997E-07 220 0.154E-03 0.753E-04
DAV: 33 -0.383539282660E+03 -0.23719E-05 -0.19917E-07 236 0.119E-03
1 F= -.38353928E+03 E0= -.38355248E+03 d E =0.396047E-01