After self-consistency has been reached, the script
save_lapw head_of_save_filename
saves case.clmsum, case.scf and case.struct under the new name. The case.broyd* files are also removed. You are now ready to modify structural parameters or input switches and rerun run_lapw, or calculate properties like charge densities (lapw5), total and partial DOS (tetra) or energy bandstructures (spaghetti).
For more complicated calculations, where many parameters will be changed, we have extended save_lapw such that calculations can not only be saved under the head_of_save_filename but also a directory can be specified. If you use any of the possible switches (-a, -f, -d, -s) all input files will be saved as well (and can be restored using restore_lapw).
Options to save_lapw can be seen with
save_lapw -h
Currently the following options are supported
-h | help |
-a | save all input files as well |
-f | force save_lapw to overwrite previous saves |
-d directory | save calculation in directory specified |
-s | silent operation (no output) |
end:save_lapw
begin:restore_lapw