iterations/neb0_image08_iter150_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 0.374636762704E+03 0.37464E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.372785980024E+01 -0.37091E+03 -0.35876E+03 866 0.196E+02
DAV: 3 -0.966955782254E+02 -0.10042E+03 -0.10011E+03 669 0.117E+02
DAV: 4 -0.101246174345E+03 -0.45506E+01 -0.45381E+01 728 0.284E+01
DAV: 5 -0.101335647365E+03 -0.89473E-01 -0.89425E-01 712 0.361E+00 0.228E+01
DAV: 6 -0.926414300892E+02 0.86942E+01 -0.30960E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917736987493E+02 0.86773E+00 -0.17483E+00 712 0.617E+00 0.480E+00
DAV: 8 -0.913969352180E+02 0.37676E+00 -0.54745E-01 720 0.397E+00 0.162E+00
DAV: 9 -0.913154858327E+02 0.81449E-01 -0.13129E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.913071422662E+02 0.83436E-02 -0.44011E-02 768 0.109E+00 0.298E-01
DAV: 11 -0.913117326299E+02 -0.45904E-02 -0.12374E-02 608 0.581E-01 0.140E-01
DAV: 12 -0.913146880204E+02 -0.29554E-02 -0.27141E-03 625 0.248E-01 0.102E-01
DAV: 13 -0.913181145302E+02 -0.34265E-02 -0.13223E-03 637 0.189E-01 0.463E-02
DAV: 14 -0.913216441979E+02 -0.35297E-02 -0.83831E-04 669 0.187E-01 0.368E-02
DAV: 15 -0.913227515033E+02 -0.11073E-02 -0.19549E-04 688 0.911E-02 0.358E-02
DAV: 16 -0.913240291582E+02 -0.12777E-02 -0.33188E-04 679 0.104E-01 0.179E-02
DAV: 17 -0.913245633914E+02 -0.53423E-03 -0.66798E-05 656 0.540E-02 0.141E-02
DAV: 18 -0.913247918327E+02 -0.22844E-03 -0.44033E-05 608 0.347E-02 0.111E-02
DAV: 19 -0.913249346737E+02 -0.14284E-03 -0.20235E-05 453 0.236E-02 0.499E-03
DAV: 20 -0.913249691669E+02 -0.34493E-04 -0.68042E-06 504 0.145E-02 0.256E-03
DAV: 21 -0.913249944479E+02 -0.25281E-04 -0.61287E-06 404 0.146E-02 0.237E-03
DAV: 22 -0.913250006895E+02 -0.62417E-05 -0.16834E-06 472 0.618E-03
1 F= -.91325001E+02 E0= -.91329866E+02 d E =0.145974E-01