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ELK 2.2.1·¢²¼£¡£¡£¡£¡£¡
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Elk version 2.2.1 has been released. Elk can now perform full unit cell relaxation, including the lattice vectors. It can be run unconstrained (latvopt=1) or in iso-volumetric mode (latvopt=2). See the examples 'Ge-lattice-opt' and 'MgB2-lattice-opt'. |
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