56 lines
830 B
C++
56 lines
830 B
C++
#ifndef PHONON_H
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#define PHONON_H
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class Phonon{
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public:
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Phonon(class DynMat *);
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~Phonon();
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class DynMat *dynmat;
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private:
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class UserInput *input;
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int nq, ndim, sysdim;
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double **qpts, *wt;
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double **eigs;
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int ndos, nlocal, *locals;
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double *dos, fmin, fmax, df, rdf;
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double ***ldos;
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class Memory *memory;
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void QMesh();
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void ComputeAll();
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void pdos();
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void pdisp();
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void therm();
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void ldos_egv();
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void ldos_rsgf();
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void local_therm();
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void dmanyq();
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void vfanyq();
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void DMdisp();
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void vecanyq();
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void ShowCell();
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void smooth(double *, const int);
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void writeDOS();
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void writeLDOS();
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void Normalize();
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int count_words(const char *);
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#ifdef UseSPG
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int num_atom, *attyp;
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double latvec[3][3], **atpos;
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#endif
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};
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#endif
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