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... writing geometry and k-points ... .................................................. SAVE/WRITE geometry/k-points in one of the following formats: 0. MM input 1. CASTEP input 2. CETEP / old CASTEP input 3. VASP input <=== active 4. SIESTA input [*.fdf] 6. XYZ-type file [ *.xyz ] 7. Default: file CONTCAR [VASP] Existing file will move to CONTCAR.bak 8. Quit: do NOT save ------------>
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