Re: [Wien] file format of case.int

2021-05-05 Thread Gavin Abo
The 2i5 is that in reference to line 4 seen on page 214 of the WIEN2k 21.1 usersguide [1] (which looks like it has not changed from that of WIEN2k 19.2 for that)? In x_lapw under case tetra, it looks like case.int is unit 5. In SRC_tetra/tetra.f, it looks like it is reading free form on line 2

[Wien] file format of case.int

2021-05-05 Thread pboulet
Dear all, I had a problem (WIEN2k v19.2) with a DOS calculation: the DOS values were all zeros in the output files and the covered volume was 0%. The command I used was: x tetra -hf, as a command line (not with the web GUI). I saw in the mailing-list that it could be a problem of file format, s