[Wien] Gauss-broadening"(G-b) in the DOS

We simulate a tantalate system using LDA+U. We use small k-points, 18, k-points, and SCF is done in less than 20 cycles. Then it is followed by LDA+U. After LDA+U, we do DOS and bandstrtucture calculation separately. DOS calculation is straight forward in Wien2k. For our system, the space group i

[Wien] Wien Digest, Vol 80, Issue 7

Compilation problem of lapw0_mpi(fftw) Dear Wien2k users, I am tryig to compiple WIEN2k_11.1 (Release 14/6/2011) parallel version in a Rocks Linux cluster, version 5.3. The problem I faced is very similar to that recorded in http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-December/015856.h