Re: [QE-users] calculated number of k_points calculated different than instructed in the nscf input file

A 'nscf' calculation assumes that the k-point grid covers the Irreducible Brillouin Zone computed with the crystal symmetry. If your grid covers the IBZ computed for a higher symmetry, the missing k-points will be added. Use calculation='bands' or disable the symmetry check on k-points if you

[QE-users] calculated number of k_points calculated different than instructed in the nscf input file

Dear users, I am new to qe and w90. After a scf calculation, I performed a nscf calculation using a 10 10 1 grid. K_POINTS {crystal} 100 0. 0. 0. 1.00e-02 0. 0.1000 0. 1.00e-02 0. 0.2000 0. 1.00e-02 ...