### corrections to VASP manual and wiki k-point pages

Posted:

**Thu Nov 15, 2018 11:48 pm**Dear VASP developers,

I would like to point out a few small corrections that need to be made to one of the VASP manual and wiki pages. In the VASP manual, under "Automatic k-mesh generation" (http://cms.mpi.univie.ac.at/vasp/vasp/A ... ation.html) and at the VASP wiki, under "Automatic k-mesh generation" (http://cms.mpi.univie.ac.at/wiki/index. ... generation), the coefficient

(n1+1/2)/N1 should be [(n1+1/2)/N1]-1/2

and similarly for the coefficients (n2+1/2)/N2 and (n3+1/2)/N3.

In addition, the coefficient

(n1+s1+1/2)/N1 should be [(n1+s1+1/2)/N1]-1/2

and similarly for the coefficients (n2+s2+1/2)/N2 and (n3+s3+1/2)/N3.

These changes are needed to make the coefficients (ni+1/2)/Ni, i = 1-3 equivalent to those in HJ Monkhorst and JD Pack, Phys. Rev. B 13, 5188 (1976) and to make a Monkhorst-Pack mesh without a shift equivalent to a Gamma-centered mesh with a shift of 0.5 0.5 0.5, and vice versa.

Thank you,

Yves

I would like to point out a few small corrections that need to be made to one of the VASP manual and wiki pages. In the VASP manual, under "Automatic k-mesh generation" (http://cms.mpi.univie.ac.at/vasp/vasp/A ... ation.html) and at the VASP wiki, under "Automatic k-mesh generation" (http://cms.mpi.univie.ac.at/wiki/index. ... generation), the coefficient

(n1+1/2)/N1 should be [(n1+1/2)/N1]-1/2

and similarly for the coefficients (n2+1/2)/N2 and (n3+1/2)/N3.

In addition, the coefficient

(n1+s1+1/2)/N1 should be [(n1+s1+1/2)/N1]-1/2

and similarly for the coefficients (n2+s2+1/2)/N2 and (n3+s3+1/2)/N3.

These changes are needed to make the coefficients (ni+1/2)/Ni, i = 1-3 equivalent to those in HJ Monkhorst and JD Pack, Phys. Rev. B 13, 5188 (1976) and to make a Monkhorst-Pack mesh without a shift equivalent to a Gamma-centered mesh with a shift of 0.5 0.5 0.5, and vice versa.

Thank you,

Yves