iterations/neb0_image05_iter192_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.368129785805E+03 0.36813E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.320138207858E+01 -0.36493E+03 -0.35209E+03 864 0.195E+02
DAV: 3 -0.954208670689E+02 -0.98622E+02 -0.98293E+02 677 0.116E+02
DAV: 4 -0.999544504872E+02 -0.45336E+01 -0.45224E+01 696 0.280E+01
DAV: 5 -0.100047221520E+03 -0.92771E-01 -0.92721E-01 728 0.353E+00 0.221E+01
DAV: 6 -0.915420517079E+02 0.85052E+01 -0.30844E+01 680 0.299E+01 0.116E+01
DAV: 7 -0.907670024377E+02 0.77505E+00 -0.18425E+00 728 0.638E+00 0.482E+00
DAV: 8 -0.903973700824E+02 0.36963E+00 -0.52323E-01 720 0.421E+00 0.171E+00
DAV: 9 -0.903089635486E+02 0.88407E-01 -0.14035E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.903017066365E+02 0.72569E-02 -0.41807E-02 768 0.122E+00 0.306E-01
DAV: 11 -0.903050747510E+02 -0.33681E-02 -0.72071E-03 608 0.508E-01 0.152E-01
DAV: 12 -0.903074610238E+02 -0.23863E-02 -0.50827E-03 626 0.456E-01 0.104E-01
DAV: 13 -0.903107187516E+02 -0.32577E-02 -0.11702E-03 672 0.215E-01 0.877E-02
DAV: 14 -0.903137574992E+02 -0.30387E-02 -0.15662E-03 652 0.201E-01 0.505E-02
DAV: 15 -0.903165476845E+02 -0.27902E-02 -0.63375E-04 696 0.168E-01 0.389E-02
DAV: 16 -0.903178982034E+02 -0.13505E-02 -0.44977E-04 680 0.108E-01 0.315E-02
DAV: 17 -0.903186413316E+02 -0.74313E-03 -0.18472E-04 733 0.976E-02 0.156E-02
DAV: 18 -0.903188887052E+02 -0.24737E-03 -0.73320E-05 712 0.440E-02 0.148E-02
DAV: 19 -0.903190737238E+02 -0.18502E-03 -0.28138E-05 498 0.307E-02 0.651E-03
DAV: 20 -0.903191620888E+02 -0.88365E-04 -0.14246E-05 488 0.223E-02 0.413E-03
DAV: 21 -0.903191921678E+02 -0.30079E-04 -0.93227E-06 464 0.160E-02 0.405E-03
DAV: 22 -0.903191973670E+02 -0.51992E-05 -0.15972E-06 496 0.897E-03
1 F= -.90319197E+02 E0= -.90325954E+02 d E =0.202692E-01