basis set compleness
Posted: Fri Oct 24, 2008 5:57 pm
Dear all,
Please let me know if this is true or not:
1) In a static run, basis set is complete
2) Even if basis set is complete and our structure is relaxed, the external pressure is NOT zero. This is because the limited ENCUT and EDIFF (tol in scf)
3) if no 2) is true, between ENCUT and EDIFF, which one is more important to make external pressure zero?
Thx.
Please let me know if this is true or not:
1) In a static run, basis set is complete
2) Even if basis set is complete and our structure is relaxed, the external pressure is NOT zero. This is because the limited ENCUT and EDIFF (tol in scf)
3) if no 2) is true, between ENCUT and EDIFF, which one is more important to make external pressure zero?
Thx.