Local Density of States in k-space?
Just Got Here
4:07:54 AM PST - Thu, Jan 10th 2013
Dear All,

is there an inbuilt function that calculates the DoS around a specified k-vector, that is the k-space-resolved density of states? In other words, is it possible to constrain the 'dos-grid' to a certain region in the Brillouin zone, eg. in a similar way as in the case of the band structure where one can explicitly specify the 'kvectors' in the 'brillouin_zone'? Any suggestions are welcome.

Many thanks!
Csaba


Forum >> NWChem's corner >> NWChem functionality