[Wien] Fwd: WIEN2k Version 19.1

2019-06-18 Thread Kamil Klier
Colleagues, Could you kindly verify my and my coworker's Jeff Spirko's access to the Wien2k website? Thanks ahead, Kamil Klier -- Forwarded message - From: Spirko, Jeffery Date: Tue, Jun 18, 2019 at 10:20 AM Subject: Re: [Wien] WIEN2k Version 19.1 To: Kamil Klier Kamil, Yes, I

[Wien] Angle change 94.14 to 107.1 during initializing.

2019-06-18 Thread Ramsewak Kashyap
Dear wien2k user, I have replece one atom as impurity in monoclinic C2/m structure. During initialization, structure changed to CXZ which can be due to symmetry change but its gamma=94.41 also change to gamma=107.10. Is it acceptable?? Regards, Ramsewak Kashyap Saha Institute of Nuclear Physics

Re: [Wien] WIEN2k Version 19.1

2019-06-18 Thread Peter Blaha
For the next release we will prepare a script like: check_minimal_software_requirements.sh, which will be a bash script and thus should run everywhere, because it seems that on some systems not even a csh is installed by default. It will check for tcsh and either instructs the user to install