1---------------------------------------------
2|               PL_assess.f90               |
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4|        Written by M.Shelley 09/09         |
5|         Imperial College, London          |
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7
8Function: To assess principal layer size of a
9          system from a single cell many
10          k-point calculation.
11
12Requirements: <seedname>_hr.dat
13
14Usage: Copy hr file to directory containing
15       executable. Within that directory,
16       type:
17
18./PL_assess.x <nk1> <nk2> <nk3> <num_wann>
19
20where:
21
22 <nk1> is the number of k-points in x-direction
23 <nk2> is the number of k-points in y-direction
24 <nk3> is the number of k-points in z-direction
25 <num_wann> is the number of wannier functions of your system
26
27    Note currently, only one k-point in non-transport directions
28    is accepted.
29
30
31eg.  ./PL_assess.x 1 1 20 16
32
33When prompted, enter the seedname.
34
35Result: <seedname>_pl.dat written. It contains 3 coloumns
36        (1): Unit cell number
37        (2): Average 'on-site' between Wannier functions in
38             true unit cell, and unit cell (1) away due to
39             k-point 'periodicity'
40        (3): Standard devaition of (2)
41        (4): Maximum absolute Hamiltonian value in unit cell
42
43