Dear all, Where can get the reference related with "SimulateDoping" ?
It is written in the manual (page 71) that " ... SimulateDoping (boolean): This option instructs the program to add a background charge density to simulate doping. The new “doping” routine calculates the net charge of the system, and adds a compensating background charge that makes the system neutral. This background charge is constant at points of the mesh near the atoms, and zero at points far from the atoms. This simulates situations like doped slabs, where the extra electrons (holes) are compensated by oposite charges at the material (the ionized dopant impurities), but not at the vacuum. This serves to simulate properly doped systems in which there are large portions of vacuum, such as doped slabs. (See Tests/sic-slab) Default value: .false. ... " Is this "routine" based on a scientific paper ? If so, could anybody send me its reference ? Thanks in advance -- Mehmet Topsakal (Ph.D. Student) UNAM-Institute of Materials Science and Nanotechnology. Bilkent University. 06800 Bilkent, Ankara/Turkey Tel: 0090 312 290 3527 ; Fax: 0090 312 266 4365 http://scholar.google.com/citations?user=0BW3mI8AAAAJ&hl=en
