diff --git a/example/Si-wien2k/README.md b/example/Si-wien2k/README.md index 7e3e11a5..326091d9 100644 --- a/example/Si-wien2k/README.md +++ b/example/Si-wien2k/README.md @@ -24,9 +24,9 @@ Using 11x11x11 sampling mesh, lattice thermal conductivity is calculated by is calculated as 119.1 W/m-K at 300 K. This becomes, with 19x19x19 sampling mesh, 128.1 W/m-K. -The .scf files for supercells are found in `supercell_out.zip`. If phono3py +The .scf files for supercells are found in `Si1_structS_scf.tar.xz`. If phono3py is properly installed, the following command should work. ``` -% phono3py --cf3 supercell_out/Si.structS-{00001..00111}/Si.structS-{00001..00111}.scf +% phono3py --cf3 Si1_structS_scf/Si1.structS-{00001..00111}.scf ``` diff --git a/example/Si-wien2k/Si1_structS_scf.tar.xz b/example/Si-wien2k/Si1_structS_scf.tar.xz new file mode 100644 index 00000000..ff5bc504 Binary files /dev/null and b/example/Si-wien2k/Si1_structS_scf.tar.xz differ