Uniform-electron-gas.pl
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	#!/usr/bin/perl

	# Usage: ./Uniform-electron-gas.pl <nx> <ny> <nz> <rs> > data.uniform-e-gas
	#
	# Generates a uniform electron gas using electrons on an NaCl lattice.

	$nx = shift(@ARGV);
	$ny = shift(@ARGV);
	$nz = shift(@ARGV);
	$rs = shift(@ARGV);

	# This part changes for different lattices
	@xunit = (0, 0.5, 0.5, 0, 0, 0.5, 0.5, 0);
	@yunit = (0, 0, 0.5, 0.5, 0.5, 0.5, 0, 0);
	@zunit = (0, 0, 0, 0, 0.5, 0.5, 0.5, 0.5);
	$volume = 1;
	$elecs_per_cell = 8;

	$L = $rs * ((4/3) * 3.14159265 * $elecs_per_cell / $volume) ** (1/3); # length of unit cell
	$r_elec = $rs * sqrt(1.5 / 1.1050);

	$Lx = $L;
	$Ly = $L;
	$Lz = $L;

	$idx = 0;
	for ($x = 0; $x < $nx; $x++)
	{
	for ($y = 0; $y < $ny; $y++)
	{
	for ($z = 0; $z < $nz; $z++)
	{
	for ($i = 0; $i <= $#xunit; $i++)
	{
	$xnuc[$idx] = $x * $Lx + $xunit[$i] * $L;
	$ynuc[$idx] = $y * $Ly + $yunit[$i] * $L;
	$znuc[$idx] = $z * $Lz + $zunit[$i] * $L;
	$idx++;
	}
	}
	}
	}

	$numnuc = $idx;

	# Print length of supercell

	printf("Created with Uniform-electron-gas.pl\n\n");
	printf("%d atoms\n",$numnuc);
	printf("1 atom types\n\n");
	printf("%f %f xlo xhi\n", 0, $Lx * $nx);
	printf("%f %f ylo yhi\n", 0, $Ly * $ny);
	printf("%f %f zlo zhi\n\n", 0, $Lz * $nz);
	printf("Masses\n\n");
	printf("1 1.000000\n\n");
	printf("Atoms\n\n");

	$j = 0;

	# Print out the electrons
	for ($i = 0; $i < $numnuc; $i += 2)
	{
	printf("%i %i %f %i %f %f %f %f\n", $j+=1, 0.0, 1, 1, $r_elec, $xnuc[$i], $ynuc[$i], $znuc[$i]);
	printf("%i %i %f %i %f %f %f %f\n", $j+=1, 0.0, 1, -1, $r_elec, $xnuc[$i+1], $ynuc[$i+1], $znuc[$i+1]);
	}

	printf("\n");