ABINIT Discussion Forums

Dear all:
I am using XML formats of PAW PSPs downloaded from
http://www.abinit.org/downloads/PAW2
The prob is that abinit-8.0.8 seems to have difficulty reading the PSPs in XML format.
The output halts immediately after this:
instrng : 63 lines of input have been read
iofn2 : Please give name of formatted atomic psp file
iofn2 : for atom type 1 , psp file is yanshi_S/PAW/S.LDA_PW-JTH.xml
inpspheads : In order to use XML pseudopotentials, you need to compile ABINIT
with the -DFOX preprocessing option, and also to compile the FoX library. Stop.
I am a beginner. Could you explain how to "compile ABINIT with the -DFOX preprocessing option, and also to compile the FoX library" in detail? Thanks a lot!
With best regards.
youhuan

Hi,
Although this should not happen... you can try for simplicity to recompile abinit adding

when you do the ./configure step.
Of course, if you already have --with-trio-flavor, just add fox like this :


Cheers

Jordan

Are you sure that you're using abinit-8.0.8 ?
This error message doesn't exist anymore in abinit v8 (and Fox is no more supported).
Check the ABINIT version you're using.

Dear Dr. Jordan and Dr. torrent:
Thank you very much for your answers. I have reexamined the ABINIT version and found the ABINIT version used is old (I have made a mistake in the ABINIT program path). I have solved this problem and thank you!
Best regards.
youhuan