[DFTB-Plus-User] Unable to get "DFTD3" installed.

[siddheshwar chopra]

Dear Balint,
I am trying to install DFTB+ code along with the ARPACK and
"dftd3-lib-master" codes. I am facing this issue:
I have already got the "libarpack2" installed. I have successfully
installed the "libdftd3.a" and "dftd3" executable inside the
"dftd3-lib-master" folder (/lib, /prg).
I edited the make.config file of dftb+ as follows:
WITH_ARPACK := 1
WITH_DFTD3 := 1
ARPACK_NEEDS_LAPACK := 1
COMPILE_DFTD3 := 1

# Set the compile time include and the link time library options for
# dftd3-lib. Ignored if WITH_DFTD3 has been disabled or COMPILE_DFTD3
enabled.
DFTD3_INCS := -I /DFTB+/dftd3-lib-master/prg
DFTD3_LIBS := -L /DFTB+/dftd3-lib-master/lib -ldftd3

I have few doubts: I already installed the dftd3..Should I change
COMPILE_DFTD3 to 0 then?  Also are the DFTD3_INCS and DFTD3_LIBS paths
correct? INCS contains the dftd3 executable path, while the LIBS contains
the libdftd3.a path.

Is it that a NEW dftb+ executable is formed which includes the dftd3
executable functionality now?

Regards,

-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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