lstart is a relativistic atomic LSDA code originally written by Desclaux (69, 75) and modified for the present purpose. Internally it uses Hartree atomic units, but all output has been converted to Rydberg units. lstart generates atomic densities which are used by dstart to generate a starting density for a scf calculation and all the input files for the scf run: in0, in1, in2, inc and inm (according to the atomic eigenvalues). In addition it creates atomic potentials (which are truncated at their corresponding atomic radii and could be used to run lapw1) and optional atomic valence densities, which can be used in lapw5 for a difference density plot. The atomic total energies are also printed, which can be used to calculate cohesive energies.
If the program stops with some lines:
NSTOP= .....
in case.outputst, this means, that a proper solution for at least one orbital could not be obtained. In such a case the input must be changed and one should provide different occupation numbers for these states (e.g. Cu can not be started with 3d104s1, but it works with 3d94s2).
Warnings about the radial mesh can usually be ignored. They can be avoided by larger dimension parameters NPT and NPT00, so that the radial mesh will reach up to RMAX0.