Did the VASP article use the pre-compiler flag -DNGXhalf [1], which is
used for large supercells and molecules with only 1 k-point (Gamma) and
is roughly twice as fast and uses half the memory [2]? As far as I
know, WIEN2k doesn't have a similar pre-compiler flag to this.
Or did they use Gamm
Greetings Wien2k users,
I came across an article which is about some first principle calculations
on olivine LiFe2O3 doped with Cr (x=0.03), For this purpose, they had to
construct a supercell 2x2x2, they ended with 224 atoms in the cell.
This is a passage of the article :
"Only one Gamma point
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