Lines Matching refs:fdf

56 echo "$head" > Gr.fdf
57 echo "$kgrid_uc" >> Gr.fdf
58 echo "$atoms_uc" >> Gr.fdf
59 phonopy --siesta -d --dim="3 3 1" -c Gr.fdf --amplitude=0.02
61 cp C.psf supercell-001.fdf disp-001
63 echo "$head" > Gr.fdf
64 echo "$kgrid_sc" >> Gr.fdf
65 echo "LatticeConstant 1.0 Bohr">> Gr.fdf
66 echo "%include supercell-001.fdf" >> Gr.fdf
69 phonopy --siesta -f disp-001/Gr.FA -c Gr.fdf
76 phonopy --siesta -p band.conf -c Gr.fdf