Re: [Wien] Understanding case.output1 with WFPNT: coefficients from interstitial region associated with reciprocal lattice vectors

Your problem comes from the local orbitals. The eigenvector listed in the output contains not only the coefficients of the (A)PW basis (which are correctly labeled by K), but (at the bottom) also the coefficients of the local orbital basis. Also these coefficients are labeled by a K-vector

[Wien] Understanding case.output1 with WFPNT: coefficients from interstitial region associated with reciprocal lattice vectors

Dear Wien2k community, I am trying to compute the overlap between different eigenfunctions calculated from a GaAs-run. In doing so, I've run into an issue regarding the wavefunction from region II, which is outputted in case.output1 through the program lapw1 (using WFPNT). The specific issue I