polaron calculation
Posted: Thu Jul 21, 2022 5:49 pm
Hi,
I'm wondering if it is possible that for coarser k mesh (4x4x4) the polaron formation energy is negative but positive for denser k mesh (12x12x12)?
Best,
Xiaoming
I'm wondering if it is possible that for coarser k mesh (4x4x4) the polaron formation energy is negative but positive for denser k mesh (12x12x12)?
Best,
Xiaoming