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VASP: Difference between revisions
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→Example of a VASP job script
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VASP uses 4 named input files: INCAR, KPOINTS, POSCAR, POTCAR. You can prepare VASP input files in a sub-directory per job. | VASP uses 4 named input files: INCAR, KPOINTS, POSCAR, POTCAR. You can prepare VASP input files in a sub-directory per job. | ||
If you do not have any idea about how much memory you need for your job you can run "makeparam" first after you prepared all your input files and in an interactive job submission. Then use the result as required memory for the next run. For more information about interactive jobs please take a look [[Running jobs]] | If you do not have any idea about how much memory you need for your job you can run "makeparam" first after you prepared all your input files and in an interactive job submission. Then use the result as required memory for the next run. For more information about interactive jobs please take a look at [[Running jobs]] | ||
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[[Category:Software]] | [[Category:Software]] | ||
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