About the directory libdftd4.a.p.

[hongyi-zhao]

I noticed the following guidance here:

DFT-D4 (optional)

To include the DFT-D4 van der Waals method, install the library from the source on GitHub and add the following in the VASP makefile.include

CPP_OPTIONS += -DDFTD4
DFTD4_ROOT ?= /path/to/your/dft4/installation
LLIBS += -L$(DFTD4_ROOT)/build -ldftd4
INCS += -I$(DFTD4_ROOT)/libdftd4.a.p

First, it seems that the INCS line used above should be written as follows:

INCS += -I$(DFTD4_ROOT)/build/libdftd4.a.p

But even so, I'm still not sure if the INCS variable set above is equivalent the following:

INCS += $(shell pkg-config --cflags dftd4)

See here for the related discussion.

Regards,
Zhao

[awvwgk]

Please follow the updated instructions from the Vasp wike or the current dftd4 documentation. The content of the build directory should not be used for Vasp, instead use dftd4 after running install.