Documentation for module pw_grid_info

This module returns additional info on PW grids

source: pw_grid_info.F
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public Subroutines/Functions:

FUNCTION
REAL(dp)
pw_find_cutoff (npts, h_inv)
Given a grid and a box, calculate the corresponding cutoff *** This routine calculates the cutoff in MOMENTUM UNITS! ***
FUNCTION
INTEGER
pw_grid_bounds_from_n (npts)
returns the bounds that distribute n points evenly around 0
...

FUNCTIONpw_find_cutoff(npts, h_inv)

Given a grid and a box, calculate the corresponding cutoff *** This routine calculates the cutoff in MOMENTUM UNITS! ***

Return Value ::
REAL(dp)
Arguments:
INTEGER,
INTENT(in)
:: npts(:) ...
REAL(dp),
INTENT(in)
:: h_inv(3,3) ...

FUNCTIONpw_grid_bounds_from_n(npts)

returns the bounds that distribute n points evenly around 0

Return Value ::
INTEGER
Arguments:
INTEGER,
INTENT(in)
:: npts(3) the number of points in each direction

FUNCTIONpw_grid_init_setup(hmat, cutoff, spherical, odd, fft_usage, ncommensurate, icommensurate, ref_grid, n_orig)

...

Return Value ::
INTEGER
Arguments:
REAL(dp),
INTENT(in)
:: hmat(3,3) ...
REAL(dp),
INTENT(in)
:: cutoff ...
LOGICAL,
INTENT(in)
:: spherical ...
LOGICAL,
INTENT(in)
:: odd ...
LOGICAL,
INTENT(in)
:: fft_usage ...
INTEGER,
INTENT(in)
:: ncommensurate ...
INTEGER,
INTENT(in)
:: icommensurate ...
INTENT(in),
OPTIONAL
:: ref_grid ...
INTEGER,
INTENT(in),
OPTIONAL
:: n_orig(3) ...