Sonu, As I told you, the .EIG file has no shift. I have just looked inside the current eig2dos.f file: the shift is done *by eig2dos*, with the Fermi energy read in the beginning of the EIG file. See line 75 of the eig2dos.f file that is distributed with Siesta 3.0-b. If I am not mistaken, prehistoric versions of eig2dos did not shift the Fermi level.
Marcos On Wed, Apr 14, 2010 at 8:23 AM, sonu kumar <[email protected]> wrote: > Dear Macos and siesta users, > > > I am not sure as to how you are obtaining your DOS... *The EIG file has >> no shift, neither do the DOS/PDOS calculated with the >> ProjectedDensityOfStates block*. As a matter of fact, if you look at the >> first line of your EIG file, it gives you the Fermi Energy, so that you can >> make the shifts by yourself. >> >> > > i have calculated the DOS using both .EIG and .DOS file. There is a Shift > by fermi energy, here Ef=-4.2569. Please find the attachments. > > If i am wrong, please tell me? > > With Regards, > Sonu Kumar > > >
