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Most important Structures and types in VASP.4.2

VASP has still a quite flat hierarchy, i.e. the modularity of the code is not extremely high. But increasing the modularity would have required too much code restructuring and man power which was not available (the current code size is approximately 50 000 lines, making a complete rewrite almost impossible).

Each structure in VASP.4 is defined in an include file:

base.inc      lattice.inc   nonl.inc      pseudo.inc
broyden.inc   mgrid.inc     nonlr.inc     setexm.inc
constant.inc  mkpoints.inc  symbol.inc    mpimy.inc     
poscar.inc    wave.inc
If one wants to understand VASP one should start with an examination of these files.



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