calculating further properties without reconverging
Posted: Sat Aug 17, 2013 12:17 pm
Hi,
is it possible to calculate further properties like partial DOS without having to go through another electronic convergence? My thinking is that the result is already in the WAVECAR file, and based on this shouldn't it be possible to calculate all further properties?
This would be a great timesaver.
is it possible to calculate further properties like partial DOS without having to go through another electronic convergence? My thinking is that the result is already in the WAVECAR file, and based on this shouldn't it be possible to calculate all further properties?
This would be a great timesaver.