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phonon.h
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Created: Tue, Nov 5, 15:34

phonon.h
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	#ifndef PHONON_H
	#define PHONON_H

	#include "stdio.h"
	#include "stdlib.h"
	#include <complex>
	#include "dynmat.h"
	#include "memory.h"

	using namespace std;

	class Phonon{
	public:
	Phonon(DynMat *);
	~Phonon();

	DynMat *dynmat;

	private:
	int nq, ndim, sysdim;
	double *qpts, wt;
	double **eigs;

	int ndos, nlocal, *locals;
	double *dos, fmin, fmax, df, rdf;
	double ***ldos;

	Memory *memory;

	void QMesh();
	void ComputeAll();

	void pdos();
	void pdisp();
	void therm();

	void ldos_egv();
	void ldos_rsgf();
	void local_therm();

	void dmanyq();
	void vfanyq();
	void DMdisp();
	void vecanyq();

	void smooth(double *, const int);
	void writeDOS();
	void writeLDOS();
	void Normalize();

	int count_words(const char *);

	#ifdef UseSPG
	int num_atom, *attyp;
	double latvec[3][3], **atpos;
	#endif
	};

	#endif

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