#ifndef PHONON_H #define PHONON_H #include "stdio.h" #include "stdlib.h" #include #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 ShowCell(); 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