Dear Siesters, I am also getting a problem related to PDOS. When I use %block ProjectedDensityOfStates -10.0 5.0 0.05 200 eV %endblock ProjectedDensityOfStates
I always get the PDOS file. It only has the Energy (eV), but there is no PDOS. I am using siesta-3.0-rc2. Is this problem related to WriteXML F if I use WriteXML T, then I get the error message and calculations stop. Does it has any relation with PDOS. or is it a bug in siesta-3.0-rc2. I wish you will help me. --- On Fri, 6/24/11, yashumimi <[email protected]> wrote: From: yashumimi <[email protected]> Subject: [SIESTA-L] PDOS problem To: "siesta-l" <[email protected]> Date: Friday, June 24, 2011, 11:05 PM what i set as follow: %block ProjectedDensityOfStates -10.0 0.0 0.05 200 eV %endblock ProjectedDensityOfStates and I get: in *.PDOS : n=" 2" l=" 2" m=" -2" z=" 1" 2d orbit? could u give some advice to explan it .
