diff --git a/doc/faqs/faqs.rst b/doc/faqs/faqs.rst index 9a3cd2f8..bb27caac 100644 --- a/doc/faqs/faqs.rst +++ b/doc/faqs/faqs.rst @@ -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? ----------------------------------