[Wien] [wien]Help for the compilation of the wien2k_11 using ifort 2011. Urgent!

2011-07-08 Thread yu li
Dears, I am new user of wien2k and i am in the trouble of compilation of the wien2k, please help me!The Linux system is Ubuntu 10.10 chinese version. During the?compilation,?my selections are: System is I: Linux (Intel ifort 12.0 compiler + mkl ) Compiler is ifort(version:12.0.3) and

[Wien] Stoner Parameter from calculation done by wien2k

2011-07-08 Thread shamik chakrabarti
IIT Kharagpur Kharagpur 721302 INDIA -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110708/fc608dc6/attachment.htm

[Wien] vacuum states in graphene slab calculations

2011-07-08 Thread katrusiat
Dear Wien2k community, I perform slab calculations for the graphene single layers separated by ~ 10 A of vacuum. In the bandstructure that comes out one sees a dense bunch of bands ~ 3 eV above the Fermi level which have parabolic behavior at the Gamma point. Supposedly, these bands are the