/****************************************************************************
 *
 * DFT++:  density functional package developed by
 *         the research group of Prof. Tomas Arias, MIT.
 *
 * Principal author: Sohrab Ismail-Beigi
 *
 * Modifications for MPI version: Kenneth P Esler,
 *                                Sohrab Ismail-Beigi, and
 *                                Tairan Wang.
 *
 * Modifications for LSD version: Jason A Cline,
 *                                Gabor Csanyi,
 *                                Tairan Wang, and
 *                                Evan Reed
 *
 * Modifications for lattice/Pulay forces: Gabor Csanyi and
 *                                         Sohrab Ismail-Beigi
 *
 * K-point symmetries:  Nicolaj Moll
 *
 * Ionic dynamics and relaxation:  Tairan Wang and
 *                                 Evan Reed
 * 
 * Copyright (C) 1996-2000 Sohrab Ismail-Beigi
 *
 * Permission granted to the academic community to 
 * freely distribute and use this software provided that this notice is
 * maintained intact, and all publications resulting from its use
 * cite the following reference:
 *
 * Sohrab Ismail-Beigi and T. A. Arias, "New Algebraic Formulation of
 * Density Functional Calculation", Computer Physics Communications,
 * volume 128, issue 1-2, pages 1-45, June 2000.
 *
 ****************************************************************************/

/*----------------------  calcempties.c  --------------------------------*
 *                                                                       *
 * Calculates eigenenergies of empty bands via CG minimization           *
 *                                                                       *
 *-----------------------------------------------------------------------*/
#ifndef DFT_CALCEMPTIES_H
#define DFT_CALCEMPTIES_H

void calc_empties(int niter_cg,real stepsize,
		  int nbands_empty,
		  Basis *basis,
		  Elecinfo &filled_info,Elecvars &filled_vars,
		  Ioninfo &ioninfo,Lattice &lattice,
		  char *init_C_empty_action,char *C_empty_filename);

#endif // DFT_CALCEMPTIES_H