Others

Program

The program package is written in the C language, including one makefile

    makefile,

five header files

    adpack.h  FEMHF_ERI.h  FEMHF_JKLM.h  Inputtools.h  mimic_omp.h

and 65 routines

    addfunc.c             FEMHF_JKLM.c           Inputtools.c    Restart.c
    adpack.c              FEMLDA_All_Electron.c  Log_DeriF.c     Set_Init.c
    All_Electron.c        Find_LESP.c            Make_EDPP2.c    Simple_Mixing.c
    All_ElectronFEM.c     Frho_V.c               Make_EDPP3.c    TM.c
    All_ElectronFEM_T.c   Gauss_Legendre.c       Make_EDPP4.c    Total_Energy.c
    BHS.c                 Gauss_LEQ.c            Make_EDPP.c     VNLF.c
    Calc_Vlocal.c         Generate_VNL.c         MBK.c           VP.c
    Core.c                ghost.c                MBK_Hessian.c   XC4atom_PBE.c
    Density.c             GR_Pulay.c             MBK_Ozaki.c     XC_CA.c
    Density_PCC.c         GVPS1.c                mimic_omp.c     XC_EX.c
    Density_V.c           GVPS2.c                MPAO_RadialF.c  XC_PBE.c
    DMF_Func.c            Hamming_I.c            MR.c            XC_PW91C.c
    Empty_VPS.c           Hamming_O.c            Multiple_PAO.c  XC_VWN.c
    E_NL.c                Hartree.c              Output.c        XC_Xa.c
    FEM_All_Electron.c    HokanF.c               PAO_RadialF.c
    FEMHF_All_Electron.c  Initial_Density.c      QuickSort.c
    FEMHF_ERI.c           Init_VPS.c             readfile.c

Copyright of the program package

The distribution of this program package follows the practice of the GNU General Public Licence [23]. Moreover, the author, Taisuke Ozaki, possesses the copyright of the original version of this program package. We cannot offer any guarantees in your use of this program package. However, when you report some program bugs, we will cooperate as much as possible together with you to remove the problems.

Contributors

T.Ozaki (JAIST),
H.Kino (NIMS),
H. Kawai (Kanazawa Univ.),
M. Toyoda (JAIST).