Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F73555010
phonon.h
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Mon, Jul 22, 16:02
Size
863 B
Mime Type
text/x-c++
Expires
Wed, Jul 24, 16:02 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
19224284
Attached To
rLAMMPS lammps
phonon.h
View Options
#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 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
Event Timeline
Log In to Comment