Three test cases are provided in the WIEN97 package. They contain the two starting files case.struct and case.inst. The corresponding output was moved into the subdirectories case_1iter and case_scf.
The test cases are the following (where the names correspond to what was called CASE in the rest of this User's Guide)
tic
fccni
tio2
We recommend to run these test cases and compare the output to the provided one. If everything works well for the initialization, then one can start one complete iteration. Again check and compare all outputs as well as the case.scf file. All test cases are setup such that the CPU-time remains small (seconds). For real production runs the value of RKMAX in case.in1 must be increased and a better (denser) k-mesh should be used.
In addition we provide a subdirectory ./example_struct_files were various more complicated struct files can be found.