Dear All, I would also like to clarify for myself the units of DOS. By definition, the DOS reads:
DOS(E) = \sum_n \int delta(E - E_n(k_x,k_y,k_z)) dk_x dk_y dk_z / (4 \pi^3), where \delta is the Dirac delta function, k_x,k_y,k_z are the 3 components of the wave vector, n is the band index, E is the energy (Ref. Ashcroft and Mermin). According to this equation the unit of DOS is 1/(Energy*length^3). Is the following statement correct?: "The Density of States of a system is the number of states per interval of energy -in the unit cell volume-". Could somebody comment on this? Is there a mistake in the above thinking? Thanks! Best, Iurii Iurii TIMROV Doctorant (PhD student) Laboratoire des Solides Irradies Ecole Polytechnique F-91128 Palaiseau +33 1 69 33 45 08 timrov at theory.polytechnique.fr > From Doc/INPUT_DOS.txt > > :::: Notes > > > ::: Output > > The total DOS (states/eV plotted vs E in eV) is written to file > "fildos" > > > So there is no volume in the units, I guess!!! > > Giovanni > > > > On May 6, 2011, at 12:59 PM, Ramesh Kumar wrote: > >> Dear Mashiat alaaii, >> >> >> Sorry for previous posting. >> >> The unit is 1/Energy.Volume i.e., Energy???1Volume???1 >> >> On Fri, May 6, 2011 at 4:05 PM, Ramesh Kumar >> <rameshchitumalla at gmail.com> wrote: >> Dear Mashiat alaaii, >> >> DOS is a number and I feel it doesn't have any unit. >> >> On Fri, May 6, 2011 at 3:52 PM, mashiat alaaii <mashiatalaaii at gmail.com> >> wrote: >> Hello, >> what is the unit of DOS? >> Should I divide the DOS that QE provides to the volume of slab? >> Thank you >> Alaaii >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> >> >> >> - >> >> CH. Ramesh Kumar >> Research Scholar, >> Computational Chemistry Lab, >> Indian Institute of Chemical Technology(IICT), >> Tarnaka, Hyderabad. >> >> >> >> >> -- >> With Best Regards: >> >> CH. Ramesh Kumar >> Senior Research Fellow, >> Computational Chemistry Lab, >> Indian Institute of Chemical Technology(IICT), >> Tarnaka, Hyderabad. >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > > > > > -- > > **** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it > > Giovanni Cantele, PhD > CNR-SPIN and Dipartimento di Scienze Fisiche > Universita' di Napoli "Federico II" > Complesso Universitario M. S. Angelo - Ed. 6 > Via Cintia, I-80126, Napoli, Italy > Phone: +39 081 676910 - Fax: +39 081 676346 > Skype contact: giocan74 > > ResearcherID: http://www.researcherid.com/rid/A-1951-2009 > Web page: http://people.na.infn.it/~cantele > http://www.nanomat.unina.it > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > Iurii TIMROV Doctorant (PhD student) Laboratoire des Solides Irradies Ecole Polytechnique F-91128 Palaiseau +33 1 69 33 45 08 timrov at theory.polytechnique.fr
