[Wien] Fwd: bug in dipan.f

2017-02-10 Thread Peter Blaha
Dear wien2k users, I just got a report about a severe bug in SRC_dipan/dipan.f As far as I can see it concerns only non-orthogonal lattices like triclinic or monoclinic structures with angles ne. 90 degrees. Fortunately, Hex and Rhomb. lattices were still ok. Peter Blaha Forwarded

Re: [Wien] (no subject)

2017-02-10 Thread Peter Blaha
Check out the file /home/IITJHOME/ambeshst/goutam/2017/Feb/10feb/stcmts/./stcmts.help031 I expect that you will find "" in it, leading to the reading errors. Check out for which energies this happens. It should happen only for high lying (unoccupied) bands and if you are not interested in