mirror of https://gitlab.com/QEF/q-e.git
20 lines
716 B
Plaintext
20 lines
716 B
Plaintext
This is to test the different KCW IO schema. In practice if the
|
|
periodic part of the wannier orbital densities are read/written in
|
|
G-space (default) or real-space, and if these quantities are
|
|
read/written in double-precision (default) or single-precision.
|
|
|
|
controlling variable:
|
|
io_real_space
|
|
io_sp
|
|
|
|
For each example in the examples folder above 4 different calculations
|
|
are run with all possible IO schema:
|
|
io_real_space io_sp
|
|
F F (default since Feb. 2024)
|
|
F T
|
|
T F (default before Feb. 2024)
|
|
T T
|
|
|
|
Each calculation is compared against the reference folder
|
|
of the corresponding example in the "examples" folder.
|