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Ex33-sinlge-Fe

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  • Category : Other
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  • Update : 2018-03-20
  • Size : 3.53mb
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  • Author ：娃哈哈***
  • About ： Nobody
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Introduction - If you have any usage issues, please Google them yourself
Linux calculation of differential charge script, using iron as an example to explain
Packet file list
(Preview for download)
FilenameSizeUpdate
Ex33-sinlge-Fe 0 2017-08-20
Ex33-sinlge-Fe\0.95 0 2017-08-20
Ex33-sinlge-Fe\0.95\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\0.95\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\0.95\INCAR 212 2017-08-19
Ex33-sinlge-Fe\0.95\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\0.95\OSZICAR 1500 2017-08-19
Ex33-sinlge-Fe\0.95\OUTCAR 198061 2017-08-19
Ex33-sinlge-Fe\0.95\POSCAR 513 2017-08-19
Ex33-sinlge-Fe\0.95\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\0.95\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\0.95\sub4 695 2017-08-19
Ex33-sinlge-Fe\0.95\vasprun.xml 1022272 2017-08-19
Ex33-sinlge-Fe\0.96 0 2017-08-20
Ex33-sinlge-Fe\0.96\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\0.96\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\0.96\INCAR 212 2017-08-19
Ex33-sinlge-Fe\0.96\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\0.96\OSZICAR 1500 2017-08-19
Ex33-sinlge-Fe\0.96\OUTCAR 198061 2017-08-19
Ex33-sinlge-Fe\0.96\POSCAR 513 2017-08-19
Ex33-sinlge-Fe\0.96\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\0.96\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\0.96\sub4 695 2017-08-19
Ex33-sinlge-Fe\0.96\vasprun.xml 1022272 2017-08-19
Ex33-sinlge-Fe\0.97 0 2017-08-20
Ex33-sinlge-Fe\0.97\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\0.97\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\0.97\INCAR 212 2017-08-19
Ex33-sinlge-Fe\0.97\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\0.97\OSZICAR 1407 2017-08-19
Ex33-sinlge-Fe\0.97\OUTCAR 196107 2017-08-19
Ex33-sinlge-Fe\0.97\POSCAR 513 2017-08-19
Ex33-sinlge-Fe\0.97\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\0.97\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\0.97\sub4 695 2017-08-19
Ex33-sinlge-Fe\0.97\vasprun.xml 1021901 2017-08-19
Ex33-sinlge-Fe\0.98 0 2017-08-20
Ex33-sinlge-Fe\0.98\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\0.98\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\0.98\INCAR 212 2017-08-19
Ex33-sinlge-Fe\0.98\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\0.98\OSZICAR 1407 2017-08-19
Ex33-sinlge-Fe\0.98\OUTCAR 196107 2017-08-19
Ex33-sinlge-Fe\0.98\POSCAR 513 2017-08-19
Ex33-sinlge-Fe\0.98\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\0.98\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\0.98\sub4 695 2017-08-19
Ex33-sinlge-Fe\0.98\vasprun.xml 1021901 2017-08-19
Ex33-sinlge-Fe\0.99 0 2017-08-20
Ex33-sinlge-Fe\0.99\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\0.99\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\0.99\INCAR 212 2017-08-19
Ex33-sinlge-Fe\0.99\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\0.99\OSZICAR 1314 2017-08-19
Ex33-sinlge-Fe\0.99\OUTCAR 194161 2017-08-19
Ex33-sinlge-Fe\0.99\POSCAR 513 2017-08-19
Ex33-sinlge-Fe\0.99\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\0.99\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\0.99\sub4 695 2017-08-19
Ex33-sinlge-Fe\0.99\vasprun.xml 1021530 2017-08-19
Ex33-sinlge-Fe\1.00 0 2017-08-20
Ex33-sinlge-Fe\1.00\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\1.00\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\1.00\INCAR 212 2017-08-19
Ex33-sinlge-Fe\1.00\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\1.00\OSZICAR 1221 2017-08-19
Ex33-sinlge-Fe\1.00\OUTCAR 192223 2017-08-19
Ex33-sinlge-Fe\1.00\POSCAR 512 2017-08-19
Ex33-sinlge-Fe\1.00\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\1.00\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\1.00\sub4 695 2017-08-19
Ex33-sinlge-Fe\1.00\vasprun.xml 1021159 2017-08-19
Ex33-sinlge-Fe\1.01 0 2017-08-20
Ex33-sinlge-Fe\1.01\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\1.01\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\1.01\INCAR 212 2017-08-19
Ex33-sinlge-Fe\1.01\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\1.01\OSZICAR 1500 2017-08-19
Ex33-sinlge-Fe\1.01\OUTCAR 198061 2017-08-19
Ex33-sinlge-Fe\1.01\POSCAR 513 2017-08-19
Ex33-sinlge-Fe\1.01\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\1.01\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\1.01\sub4 695 2017-08-19
Ex33-sinlge-Fe\1.01\vasprun.xml 1022272 2017-08-19
Ex33-sinlge-Fe\1.02 0 2017-08-20
Ex33-sinlge-Fe\1.02\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\1.02\Fe-bulk.vasp 332 2017-08-19
Ex33-sinlge-Fe\1.02\INCAR 212 2017-08-19
Ex33-sinlge-Fe\1.02\KPOINTS 37 2017-08-19
Ex33-sinlge-Fe\1.02\OSZICAR 1500 2017-08-19
Ex33-sinlge-Fe\1.02\OUTCAR 198061 2017-08-19
Ex33-sinlge-Fe\1.02\POSCAR 513 2017-08-19
Ex33-sinlge-Fe\1.02\POTCAR 238259 2017-08-19
Ex33-sinlge-Fe\1.02\PROCAR 952379 2017-08-19
Ex33-sinlge-Fe\1.02\sub4 695 2017-08-19
Ex33-sinlge-Fe\1.02\vasprun.xml 1022272 2017-08-19
Ex33-sinlge-Fe\1.03 0 2017-08-20
Ex33-sinlge-Fe\1.03\CONTCAR 512 2017-08-19
Ex33-sinlge-Fe\1.03\Fe-bulk.vasp 332 2017-08-19
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