Dear Jamil, nr1, nr2, and nr3 are the FFT dimensions as can be seen in output of the pw.x run. Look for something of the kind: "Dense grid: 5979 G-vectors FFT dimensions: ( 25, 25, 25)" They can be specified in the input of pw.x run, see Doc/INPUT_PW, variables nr1, nr2, nr3.
HTH, Guido PS The local DOS (r,E) is nothing but the DOS weighted by the wavefunction amplitude. On 02/22/2014 03:57 PM, MISSAOUI Jamil wrote: > Dear PW users, > I'm trying to calculate the local density state in a given volume, but i > have a problem in defining boxes for the local DOS(E) (the input > 'irmin' and 'irmax'). My question is: Where i can find the the values > of nr1, nr2 and nr3 of my system which are related to the values of the > inputs irmin and irmax? > I'm looking also, about having papers in this field of research(LDOS) if > it is possible. > Best Regard. > Jamil. > __________________________________ > Jamil MISSAOUI, > PhD Student, > > Faculty of Sciences of Tunis > University of Manar > Tunis, Tunisie. > -- Guido Fratesi
