about KPOINT setting in PARCHG calculation
Posted: Fri Oct 27, 2006 9:26 am
I have a question about the KPOINTS setting in PARCHG calculation.
The WAVECAR used in the PARCHG calculation is obtained in a selfconsistent calculation with a uniform K-point mesh. If I want to get a PARCHG for a certain line in the BZ, how can I set the KPOINTS? Is it useful to set the particular KPOINTS in the PARCHG calculation, which is different from the KPOINTS in the selfconsistent calculation?
The WAVECAR used in the PARCHG calculation is obtained in a selfconsistent calculation with a uniform K-point mesh. If I want to get a PARCHG for a certain line in the BZ, how can I set the KPOINTS? Is it useful to set the particular KPOINTS in the PARCHG calculation, which is different from the KPOINTS in the selfconsistent calculation?