[DFTB-Plus-User] latticeOpt_error

keshtan keshtan at fzu.cz
Tue Feb 27 16:13:11 CET 2024


Hi,


When I try to use LatticeOpt and set it to "LatticeOpt=Yes" in DFTB+ 
code, I faced with the "Fortran runtime error: shape and target do not 
conform". Typically, this error happen when an array or parameter is 
improperly allocated or defined in a Fortran code. So, why did it happen 
in DFTB+? Everything properly works if this command is set to 
"LatticeOpt=No"


Sincerely,



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