LH5 and py4vasp

[xiaolei_liu]

Dear,

I set LH5 = .TRUE. in INCAR. But I do not get the vaspwave.h5 output file. I am using vasp 6.3.0.

[manuel_engel1]

Does the code produce the vaspout.h5 file? If not, you likely have not compiled VASP with HDF5 support. To do so, set

Code: Select all

CPP_OPTIONS+= -DVASP_HDF5
HDF5_ROOT  ?= /path/to/your/hdf5/installation
LLIBS      += -L$(HDF5_ROOT)/lib -lhdf5_fortran
INCS       += -I$(HDF5_ROOT)/include

in your makefile.include according to this VASP wiki entry.

If you still do not see the vaspwave.h5 output file, then please submit INCAR, OUTCAR and standard-output files of the case where it isn't working.