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Dfpt
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9:06
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VASP DFPT calculation (with phonopy)
# phonon dispersion (DFPT) 1. mkdir Fe2VAl-dfpt 2. cd Fe2* 3. cif2cell -p vasp --setup-all --vasp-format=5 --vasp-encutfac=1.0 --vasp-pseudo-libdr='/home/wien2k4/vasp/potpaw_PBE' --vasp-pseudo-priority="_d,_pv,_sv,_h,_s" --vasp-print-species --vasp-cartesian-lattice-vectors --print-symmetry-operations -f case.cif 4. gedit INCAR -----INCAR ...
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