Re: [Wien] File for vacuum size

I could be wrong, but as far as I know, there is currently no output file or program in WIEN2k to recover the vacuum thickness created by "x supercell" or the structeditor. So, to get the vacuum thickness, you would have to look at the lattice parameters and atomic positions in case.struct,

[Wien] File for vacuum size

Dear Developers and Users, I need your help on this. It is known that, one can use x supercell or structeditor to create a surface or a cluster etc. Please, which file to look for information on the vacuum thickness of the case.struct? Thanks a lot for your time. Best regards Lawal

Re: [Wien] Installation with MPI and GNU compilers

Using: 64 bit Ubuntu 16.04.4 LTS WIEN2k 17.1 (with the siteconfig, libxc, and gfortran patches [ https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1 ]) username@computername:~$ gfortran --version GNU Fortran (Ubuntu 5.4.0-6ubuntu1~16.04.9) 5.4.0 20160609 In SRC_lapw1/inilpw.f, I added a