================================================================================
                           Input parameter data file
                            LSMS code (version 2.0)
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                           System-related Parameters
===========================+====================================================
Text Identification        ::  FeNi3
Alloy System Description   ::  FeNi3, L12 structure
No. Atoms in System (> 0)  ::  4
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                       Position and Potential Data Files
===========================+====================================================
Atomic Position File Name  :: position.dat
Default Potential Input File Name  ::  Fe_mt_v, Ni_mt_v
Default Potential Input File Form  ::  0
   = 0: ASCII Format       ----------
   = 1: XDR Format         ----------
   = 2: HDF Format         ----------
   = 3: Machine Dependent Binary ----
Default Potential Output File Name ::  FeNi3_mt_w
Default Potential Output File Form ::  1
   = 0: ASCII Format       ----------
   = 1: XDR Format         ----------
   = 2: HDF Format         ----------
   = 3: Machine Dependent Binary ----
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                            SCF-related Parameters
===========================+====================================================
Stop-at Routine Name       :: main
No. Iterations (> 0)       ::  60
Method of SCF Calculation  ::  1
   -2. Single Site         -----------
   -1. ScreenKKR-LSMS      -----------(To be implemented)
    0. Screen-KKR          -----------(To be implemented)
    1. LSMS                -----------
    2. KKR                 -----------
    3. KKR-CPA             -----------
Output to Screen (y/n)     ::  n
Temperature Parameter (K)  ::  0.000
Val. Electron Rel (>= 0)   ::  0
     0. Non-relativitic    ---------
     1. Scalar-relativitic ---------
     2. Full-relativitic   ---------
Core Electron Rel (>= 0)   ::  0
     0. Non-relativitic    ---------
     1. Full-relativitic   ---------
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                       LDA Potential-related Parameters
===========================+====================================================
Potential Type (>= 0)      ::  0
     0. Muffin-tin         ----------
     1. ASA                ----------
     2. Muffin-tin ASA     ----------
     3. Full               ----------
     4. Muffin-Tin Test    ----------
     5. Empty Lattice      ----------
     6. Mathieu Potential  ----------
Exch-Corr. LDA Type (>= 0) ::  4
   Note: The input can be either one of the following numbers or, e.g.,
         LDA_X+LDA_C_HL for Hedin-Lundqvist LDA functional, or GGA_X_PBE+GGA_C_PBE
         for PBE GGA function, etc.. The naming convention here follows the definition
         given in LibXC.
     0. Barth-Hedin        ---------
     1. Vosk-Wilk-Nusair   ---------
     2. Perdew-Zunger      ---------
     3. Perdew-Wang GGA    ---------
     4. PBE                ---------
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                        Energy (Ryd.) Contour Parameters
===========================+====================================================
Read E-mesh from emeshs.inp :: 0
     0. No                 ---------
     1. Yes. In this case, the following data have no effect
No. Energy Grids           ::  32 
Real Axis Bottom, erbot    ::  -0.40
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                         Magnetism-related Parameters    
===========================+====================================================
Moment Direction File Name ::  Evec_input.dat
Spin Index Param (>= 1)    ::  3
     1. No Spin            ---------
     2. Spin-polarized     ---------
     3. Spin-canted        ---------
No. SD Time Steps (>= 1)   :: 1
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                  Scattering Theory-related Parameters
===========================+====================================================
Default Lmax-T matrix      ::  4
Default No. Rad Points ndivin  :: 1001
   = 0: Not specified ---------------
   > 0: Speciflied. Note:  0  < r(j)=exp(j*hin) <= rmt, j=1,2,...,ndivin
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                      R-space or K-space Related Parameters
===========================+====================================================
Default LIZ # Neighbors   :: 135
M-matrix inversion (>= 0) :: 0
   = 0: LU method; 
   = 2: QMR method
===========================+====================================================
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                     Mixing and Tolerance Parameters
===========================+====================================================
Mixing algorithm           ::  2
     0. Simple Mixing      ---------
     1. D.G.A. Mixing      ---------
     2. Broyden Mixing     ---------
Mixing quantity type       ::  1
     0. Charge mixing      ---------
     1. Potential mixing   ---------
Default Mixing Parameter   ::  0.0500
Default Evec Mix Param.    ::  0.0000
Energy (Ryd) Tol (> 0)     ::  0.000005
Potential Tol (> 0)        ::  0.0000001
================================================================================
# Maximum MPI tasks per GPU for KKR Matrix Inverse ::  8
   Note: If the number of MPI tasks is greater than this number, the GPU acceleration
         of the KKR matrix inverse is disabled
   Default value: 28
Maximum MPI tasks per GPU for KKR Matrix Calculation :: 4
   Note: If the number of MPI tasks is greater than this number, the KKR matrix will be calcualted on
         CPU and will be copied to GPU for taking inverse.
   Default value: 4
Maximum MPI tasks per GPU for Gij Matrix Calculation :: 4
   Note: If the number of MPI tasks is greater than this number, the Gij matrix will be calcualted on
         CPU and will be copied to GPU for taking inverse.
   Default value: 4
