Pseudopotentials
Currently, PARSEC is compatible with norm-conserving pseudopotentials only. Input pseudopotential files are in format consistent with Prof. J. L. Martins' pseudopotential generator.
The distributors of PARSEC have made minor (but important) modifications to Prof. Martins' code. To apply these modifications download the patch file hackatom.patch. Copy hackatom.patch into the root directory of atom (the present version is 5.695) and type:
patch -p1 < hackatom.patch
If the patch is successfully applied you should see output that looks like:
beckman:~/temp/apply_patch/_atom-5.695 spbeckman$ patch -p1 < hackatom.patch patching file atm.f patching file doc/atm3.aux patching file doc/atm3.log patching file doc/atm3.pdf patching file doc/atm3.ps patching file doc/atm3.tex patching file kbconv.f patching file source/pseud2.f patching file source/pseudb.f patching file source/pseudk.f patching file source/pseudo.f patching file source/pseudt.f patching file source/pseudv.f patching file source/velect.f beckman:~/temp/apply_patch/_atom-5.695 spbeckman$