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20 lines
994 B
Text
20 lines
994 B
Text
An all-electron full-potential linearised augmented-plane wave
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(LAPW) code with many advanced features. Written originally at
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Karl-Franzens-Universitat Graz as a milestone of the EXCITING EU
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Research and Training Network, the code is designed to be as simple
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as possible so that new developments in the field of density
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functional theory (DFT) can be added quickly and reliably. The code
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is freely available under the GNU General Public License.
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The code is made to use OpenMP and only build with -fopenmp flag,
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although the default building doesn't use additional optimization
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flags to OpenMP.
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However there is some building options available, that can be set
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using the environment variables as following:
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If you want to enable more optimizations to OpenMP set OMP_OPT=yes
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You can also enable MPI, set MPI=yes and install openmpi or mpich.
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It's also possible to use OMP_OPT=yes and MPI=yes together.
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Optional dependence: libxc
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To use libxc set LIBXC=yes, this requires libxc
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