iterations/neb0_image05_iter270_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 0.367057433665E+03 0.36706E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.397440822771E+01 -0.36308E+03 -0.34961E+03 847 0.195E+02
DAV: 3 -0.953765490208E+02 -0.99351E+02 -0.99007E+02 653 0.116E+02
DAV: 4 -0.100132698156E+03 -0.47561E+01 -0.47439E+01 704 0.296E+01
DAV: 5 -0.100226471564E+03 -0.93773E-01 -0.93724E-01 728 0.375E+00 0.221E+01
DAV: 6 -0.916008062041E+02 0.86257E+01 -0.31279E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907790642236E+02 0.82174E+00 -0.17352E+00 704 0.627E+00 0.484E+00
DAV: 8 -0.903990559839E+02 0.38001E+00 -0.56096E-01 728 0.430E+00 0.167E+00
DAV: 9 -0.903124664919E+02 0.86589E-01 -0.12619E-01 728 0.169E+00 0.434E-01
DAV: 10 -0.903051137768E+02 0.73527E-02 -0.46347E-02 717 0.120E+00 0.322E-01
DAV: 11 -0.903091057667E+02 -0.39920E-02 -0.91080E-03 624 0.619E-01 0.122E-01
DAV: 12 -0.903115490102E+02 -0.24432E-02 -0.60713E-03 628 0.381E-01 0.137E-01
DAV: 13 -0.903143488261E+02 -0.27998E-02 -0.23056E-03 864 0.352E-01 0.824E-02
DAV: 14 -0.903185390288E+02 -0.41902E-02 -0.16715E-03 632 0.188E-01 0.732E-02
DAV: 15 -0.903206595060E+02 -0.21205E-02 -0.31929E-04 808 0.118E-01 0.423E-02
DAV: 16 -0.903227918884E+02 -0.21324E-02 -0.13450E-03 647 0.220E-01 0.578E-02
DAV: 17 -0.903231794829E+02 -0.38759E-03 -0.22160E-04 832 0.100E-01 0.345E-02
DAV: 18 -0.903233481739E+02 -0.16869E-03 -0.42560E-05 672 0.385E-02 0.257E-02
DAV: 19 -0.903237408324E+02 -0.39266E-03 -0.18454E-04 753 0.854E-02 0.125E-02
DAV: 20 -0.903237610052E+02 -0.20173E-04 -0.22341E-05 600 0.295E-02 0.114E-02
DAV: 21 -0.903238049964E+02 -0.43991E-04 -0.15226E-05 438 0.243E-02 0.711E-03
DAV: 22 -0.903238258068E+02 -0.20810E-04 -0.49733E-06 485 0.133E-02 0.457E-03
DAV: 23 -0.903238373963E+02 -0.11589E-04 -0.59132E-06 409 0.137E-02 0.238E-03
DAV: 24 -0.903238397330E+02 -0.23368E-05 -0.14731E-06 474 0.716E-03
1 F= -.90323840E+02 E0= -.90328300E+02 d E =0.133815E-01