[Wien] a problem about optic property with spin-orbital coupling

2008-04-23 Thread line_...@163.com
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[Wien] DOS with spin-orbit

2008-04-23 Thread Peter Blaha
You need the qtl-Program for that. Read the UG. (In the new version comming soon, a new QTL-Program by P.Novak will be included which has a much more userfriendly input). John Appleton schrieb: Dear users, I wish to ask a question concerning the density of states when SO is present. As is

[Wien] Question about x nn

2008-04-23 Thread alberto piƱeiro rodriguez
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[Wien] Bemchmark

2008-04-23 Thread Laurence Marks
Dual Quad-Core E5410 @ 2.33GHz 1333 FSB 8GB 667MHz DDR2 FB-DIMM Infiniband (more than fast enough, WALL=CPU within delta) Adjacent Cache Line Prefetch Enabled (might not be best, not sure) ifort 10.1.015 mkl 10.0.2.018 Blocksize = 64 Serial benchmark Jobs/Node Threads Time 1