problem regarding kpoints
Posted: Wed Nov 30, 2011 4:15 pm
Hi!
This is in regard to the band structure simulation using GW approximation. Initially when i tried to run the simulation for a bulk silicon it showed an error that the kpoints are not correct so i just removed the NKRED from the incar file and it showed some iterations and now it shows that the weight of one kpoint do not sum up to one.
<span class='smallblacktext'>[ Edited ]</span>
This is in regard to the band structure simulation using GW approximation. Initially when i tried to run the simulation for a bulk silicon it showed an error that the kpoints are not correct so i just removed the NKRED from the incar file and it showed some iterations and now it shows that the weight of one kpoint do not sum up to one.
<span class='smallblacktext'>[ Edited ]</span>