[DFTB-Plus-User] xTB support

[Bálint Aradi]

Dear Toufik,

 > I am trying to use xTB implementation on DFTB+21.2 version. The
 > compilation was done by passing -DWITH_TBLITE=TRUE when invoking  cmake.
 > But I still getting the following error
 > ERROR!
 > - > DFTB+ compiled without support for tblite library
 >
 > I verified with
 > cat CMakeCache.txt | grep TBLITE
 > WITH_TBLITE:BOOL=TRUE
 >
 > Any suggestions please?
At first glance, it seems to be correct, what you did, so I am somewhat 
puzzled what went wrong. Stupid question, but are you sure, that you 
invoke the right DFTB+ binary?

Alternatively, you could simply try the Conda version of DFTB+. That is 
already precompiled and comes with xTB support.

Best regards,

Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/
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