Hi, how are you? I am trying to do the unfolding part for a Silicon 4x4x4 supercell and it is not working. I tried before for Ga2O3 2x2x2 supercell and it worked fine, but now I am getting the following error:
"AssertionError: No. of planewaves not consistent! 31219 31263 91125"
Do you know what might be wrong? I think it could be one of the flags in VASP. I've been trying to decrease the number of plane waves (smaller ENCUT) but it hasn't worked yet.
Thanks in advance,
Igor Evangelista
Hi, how are you? I am trying to do the unfolding part for a Silicon 4x4x4 supercell and it is not working. I tried before for Ga2O3 2x2x2 supercell and it worked fine, but now I am getting the following error: "AssertionError: No. of planewaves not consistent! 31219 31263 91125" Do you know what might be wrong? I think it could be one of the flags in VASP. I've been trying to decrease the number of plane waves (smaller ENCUT) but it hasn't worked yet. Thanks in advance, Igor Evangelista