Generate pulay correction file for a pseudopotential. Usage: calcPulay <pspFilename> [<EcutStart>:<dEcut>:<EcutStop>] [<outFile>] where <pspFilename> specifies the pseudopotential filename (cannot be a wildcard) <EcutStart>:<dEcut>:<EcutStop> specifies Pulay corrections should be computed from <EcutStart> to <EcutStop> in increments of <dEcut>. Defaults to "5:1:50". <outFile> is the path to the computed pulay correction file. Defaults to the pseudopotential filename with the extension replaced by .pulay. The details of the computation can be controlled by environment variables: boxSize: Periodic image separation of the atoms in bohrs (Default: 20) exCorr: Exchange-correlation to use (Default: gga-PBE) JDFTx: Path to executable jdftx (or jdftx_gpu) (Default: jdftx) This is required if jdftx is not in $PATH, to use jdftx_gpu, or to use a job management system eg. JDFTx="srun jdftx" scratchDir: Temporary directory to store wavefunctions and output files. Must be writeable. Defaults to current directory.