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w76990480荣誉版主 (文坛精英)
super-emuch
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[求助]
vasp2cfg怎么用
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vasp2cfg: Purpose: convert VASP POSCAR + POTCAR to Ju Li's configuration format. see http://alum.mit.edu/www/liju99/Graphics/A/ for details. Usage: vasp2cfg cfg_fname (POSCAR, POTCAR in ./) or, vasp2cfg POSCAR_fname cfg_fname (POTCAR in ./) or, vasp2cfg POTCAR_fname POSCAR_fname cfg_fname This utility does the opposite to cfg2vasp. If you have POSCAR and POTCAR ready, it can convert the geometries to the CFG format so you can view with AtomEye. For instance: % vasp2cfg result.cfg Loading configuration from file "POSCAR": configuration name = "Si-stretched-perturbed.cfg" num_species = 1, np = 2; Loading species designation from file "POTCAR": 2 Si atoms assigned; "POTCAR" + "POSCAR" -> "result.cfg". 这个怎么用？ |
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