Hi dear all I want to calculation total valence charge density of my composition withe pp.x code, for a typical plane and special direction and special state, For example: The total valence charge density without including d band for the X state, in the plane(1 -1 0) and along the<1 1 1> direction. I know how define the plane, but I dont know that how to other define,
please help me masoud alavi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140828/03fb7218/attachment.html