The ABINIT Users Mailing List ( CLOSED )

[i.galanakis@fz-juelich.de]

Dear all, I am trying to produce partial DOS with prtdos =3 for a Si/Ge 
system. I have no problems when the number of atoms is small and the 
calculated DOS's are OK (I compared them with results of other ab-initio 
codes). But when my system reaches the 32 atoms per unit cell, all the ouput 
DOS files are made up by zeros. I have used mkmem =0 in case it was a memory 
problem but the result was the same. Even if I choose to calculated the PDOS 
only for one atom (e.g. natshp =1 iatsph=2), I get the same problem. The case 
of total DOS (prtdos=2) presents no problem.
Any idea where the problem comes from?
I.Galanakis