[Wien] d-electron of pure Zn

zeus.theochem.tuwien.ac.at] On Behalf Of Bin Shao Sent: Friday, May 28, 2010 5:21 AM To: wien Subject: Re: [Wien] d-electron of pure Zn Attachment is the diagram of the pure Zn's DOS. On Thu, May 27, 2010 at 9:06 AM, Bin Shao wrote: Dear wien2k users, I am running wien version 9.2 on a ma

[Wien] d-electron of pure Zn

Attachment is the diagram of the pure Zn's DOS. On Thu, May 27, 2010 at 9:06 AM, Bin Shao wrote: > Dear wien2k users, > > I am running wien version 9.2 on a machine of type cluster with operating > system Centos 5.4, fortran compiler ifort and math libraries intel mkl. > > The purpose of my calc

[Wien] d-electron of pure Zn

Dear wien2k users, I am running wien version 9.2 on a machine of type cluster with operating system Centos 5.4, fortran compiler ifort and math libraries intel mkl. The purpose of my calculations in to get the DOS of pure Zn. I generate the structure of pure Zn with the lattice parameter from ex