LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-06 20:43:44 +01:00
Code Issues Releases Wiki Activity

Add a faq for issue #45

Browse Source
This commit is contained in:
Manuel Zingl 2016-02-10 09:14:42 +01:00
parent 3e4b74225c
commit 9e1ebfe5e0
1 changed files with 9 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

9
doc/faqs/faqs.rst
View File

@ -3,6 +3,7 @@ Frequently-Asked Questions
wien2k: FERMI ERROR when running `x lapw2 -almd -band`
------------------------------------------------------
In some versions of Wien2k, there is a problem in running `x lapw2 -almd -band`.
A hack solution is as follows:
@ -22,10 +23,18 @@ the parameters as desired.
x optic does not write a case.pmat file
---------------------------------------
Make sure that you set line 6 to "ON" and put a "1" to the following line.
The "1" is undocumented in Wien2k, but needed to have `case.pmat` written.
However, we are working on reading directly the `case.mommat2` file.
No module named pytriqs.*** error when running a script
-------------------------------------------------------
Make sure that have propaly build, tested and installed TRIQS and DFTTools
using, make, make test and make install. Additionally, you should always
use pytriqs to call your scripts, e.g. pytriqs yourscript.py
Why is my calculation not working?
----------------------------------