[Wien] Fermi surface

2008-10-14 Thread Lo_wan_2005LDA+DMFT
one: 598 2 9249859 598 2 9290705 Fax:598 2 9241906 Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm - Original Message - From: Lo_wan_2005LDA+DMFT To: wien at zeus.theochem.tuwien.ac.at Sent: Sunday, October 12, 2008 3:12 PM Subject: [Wien] Fermi surface

[Wien] Fermi surface

2008-10-13 Thread Lo_wan_2005LDA+DMFT
Dear all I don't know if WIEN2k can give the Fermi surface? Thanks XW _ MSNMSN? http://im.live.cn/emoticons/?ID=6 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theoche

[Wien] How one can know the high-symmetry point in the Brillouin zone

2008-10-13 Thread Lo_wan_2005LDA+DMFT
Dear all I am asking a very simple question. How one can know the high-symmetry point in the Brillouin zone? If there is literature or software to determine the points of high-symmetry points for any lattice structure? For example, for the LaOFeAs, the Space group is P4/nmm. People plot the

[Wien] about compile and the example of TiC

2008-07-18 Thread Lo_wan_2005LDA+DMFT
Dear Wien2k users, I just compile WIEN2K in a PC-cluster, which is made by "Intel(R) Pentium(R) D CPU 3.20GHz". The system I select is "Linux (Intel ifort 9 or 10 compiler + mkl 9.0 )" Unfortunately, the machine do not install mkl. So the compiler options I use is: O Compiler options: