iterations/neb0_image01_iter101_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 0.366499976656E+03 0.36650E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.341564340702E+01 -0.36308E+03 -0.34974E+03 839 0.195E+02
DAV: 3 -0.957351329674E+02 -0.99151E+02 -0.98809E+02 680 0.116E+02
DAV: 4 -0.100202958863E+03 -0.44678E+01 -0.44586E+01 685 0.283E+01
DAV: 5 -0.100291240471E+03 -0.88282E-01 -0.88228E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916744708358E+02 0.86168E+01 -0.31178E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908674293422E+02 0.80704E+00 -0.18213E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904883908886E+02 0.37904E+00 -0.55319E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.904033866980E+02 0.85004E-01 -0.13554E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903981340435E+02 0.52527E-02 -0.46255E-02 728 0.124E+00 0.317E-01
DAV: 11 -0.904020811212E+02 -0.39471E-02 -0.69592E-03 608 0.496E-01 0.135E-01
DAV: 12 -0.904056253603E+02 -0.35442E-02 -0.67872E-03 629 0.466E-01 0.128E-01
DAV: 13 -0.904082402282E+02 -0.26149E-02 -0.14616E-03 864 0.312E-01 0.758E-02
DAV: 14 -0.904112496277E+02 -0.30094E-02 -0.14227E-03 634 0.181E-01 0.608E-02
DAV: 15 -0.904132158003E+02 -0.19662E-02 -0.36786E-04 688 0.119E-01 0.466E-02
DAV: 16 -0.904145796784E+02 -0.13639E-02 -0.85879E-04 653 0.171E-01 0.383E-02
DAV: 17 -0.904153990751E+02 -0.81940E-03 -0.18456E-04 829 0.961E-02 0.234E-02
DAV: 18 -0.904155330047E+02 -0.13393E-03 -0.42518E-05 712 0.332E-02 0.151E-02
DAV: 19 -0.904157951895E+02 -0.26218E-03 -0.63806E-05 633 0.414E-02 0.598E-03
DAV: 20 -0.904158257619E+02 -0.30572E-04 -0.64978E-06 480 0.168E-02 0.587E-03
DAV: 21 -0.904158604369E+02 -0.34675E-04 -0.81015E-06 439 0.181E-02 0.552E-03
DAV: 22 -0.904158860119E+02 -0.25575E-04 -0.42864E-06 458 0.114E-02 0.408E-03
DAV: 23 -0.904158886839E+02 -0.26720E-05 -0.37900E-06 528 0.112E-02
1 F= -.90415889E+02 E0= -.90420965E+02 d E =0.152289E-01