dear all,
i'm a new user of vasp and i already have problems:
1. how to make kpoints for bcc Fe 2x2x2 in k points file
2. how to generate the lattice parameter in poscar file
really appreciate your help.
thanks.
kpoints bcc Fe
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bigdaddy
kpoints bcc Fe
Last edited by bigdaddy on Mon Dec 11, 2006 9:44 am, edited 1 time in total.
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admin
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kpoints bcc Fe
please
1) have a look in any of the publications written on this subject (minimum k-point sets for bcc-Fe) and standard solid state physics textbooks (k-mesh sizes in supercells) and
2) read the online handbook ( POSCAR )
1) have a look in any of the publications written on this subject (minimum k-point sets for bcc-Fe) and standard solid state physics textbooks (k-mesh sizes in supercells) and
2) read the online handbook ( POSCAR )
Last edited by admin on Mon Dec 11, 2006 1:46 pm, edited 1 time in total.