Re: [SIESTA-L] Mesh Supercell

On Wed, 9 Feb 2005, Aleksey Kletsov wrote: | Hello! | | How to cancel Internal auxiliary supercell calculation? I mean i want, | for example, to calculate Au2, so i do not need more atoms, just two. If you need just two (as an isolated cluster), you have to put them in large enough supercell, so

Re: [SIESTA-L] on running with intel MKL

Hallo, Sir: I changed BLAS to the libmkl_ia32.a. But the following error occurs: /opt/intel/mkl/lib/32/libmkl_lapack.a /opt/intel/mkl/lib/32/libmkl_ia32.a /opt/intel/mkl/lib/32/libguide.a -lpthread /opt/intel/mkl/lib/32/libmkl_ia32.a(_izamax.o)(.text+0x0): In function `izamax_': : multiple