Dear all users,
Recently I have done some PDOS calculation on graphane, The problem is
that for those occupied states, the total PDOS of all atoms equals well with
that given in the .pdos.pdos.tot, while, for those unoccupied states, the
total PDOS of all atoms is about half of that given in .pdos.pdos.tot. Does
anyone encounter similar problems ? Any suggestions will be greatly
appreciated.
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130313/f9ecda42/attachment.html
-------------- next part --------------
A non-text attachment was scrubbed...
Name: dos.eps
Type: application/octet-stream
Size: 61448 bytes
Desc: not available
Url :
http://pwscf.org/pipermail/pw_forum/attachments/20130313/f9ecda42/attachment.obj