This is a very basic question which I am not too proud to ask (although perhaps I should be). It has to do with how the projected density of states is coded for the PAW case in projwfc.f90 pgm. From reading the fortran code, I came up with the explanation attached to this email. Since I am not interested in the l-decomposition of the partial density of states, all of the ldos(E) terms were summed for each site. It is not clear whether there may be some sophisticated scaling factors involved so I wanted to check with the forum. Or perhaps there is a description in the literature or on your webpage that answers this question. Thanks in advance for your attention. Natalie Holzwarth
N. A. W. Holzwarth email: natalie at wfu.edu Department of Physics web: http://www.wfu.edu/~natalie Wake Forest University phone: 1-336-758-5510 Winston-Salem, NC 27109 USA office: Rm. 300 Olin Physical Lab -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130505/8efcd1c1/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: PDOS.pdf Type: application/pdf Size: 123574 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20130505/8efcd1c1/attachment.pdf