Dear Pari, from Doc/INPUT_PROJWFC: "All DOS(E) are in states/eV plotted vs E in eV" i.e., states/eV/cell; if you want them in states/eV/volume you should divide by volume/cell. To be sure, you can try once integrating numerically (histograms would be enough) the DOS up to the Fermi level to see you get the number of electrons (or the electron density) you expect for your system. HTH Guido
On 05/09/2012 03:40 PM, pari shok wrote: > Dear All, > Hello. > My question is: for calculating DOS per volume, whether I should divide > it to unit cell volume that is given by scf output file or by unit cell/ > 4(pi)^3. as you know the difference is a factor of 100. > I appreciate your help. > Yours > P Shok > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy
