ABINIT Discussion Forums

Hello everyone,

I am currently running a few tests on the wurtzite ZnO, and after a few runs with the norm-conservative pseudopotentials without any problem I switched to the PAW method.
Well, I tried to. I downloaded the GGA-JTH.xml files from the Abinit website (https://www.abinit.org/downloads/PAW2) and tried to launch a first run.

However, Abinit return a peculiar error message when it tries to read the input files:

--- !ERROR
src_file: inpspheads.F90
src_line: 528
mpi_rank: 0
message: |
Bad real number in item 1 of list input
...

I am quite new to Abinit (first post on the forum by the way), and after looking for a similar case on the forum I could not find anything.
From what I understood, it has something to do with the inpspheads.F90 file, which I did not modify.
The line 526-528 of this file reads:

! Handle IO error
10 continue
MSG_ERROR(errmsg))

The error certainly comes from me, though I cannot tell what went wrong.
If it helps, you can find enclosed the input file I used.
Here is what the .files file contains:

testZnO_PAW.in
testZnO_PAW.out
testZnO_PAWi
testZnO_PAWo
testZnO_PAWtmp
O.GGA_PBE-JTH.xml
Zn.GGA_PBE-JTH.xml

Thanks a lot for taking a look at my problem !

[Update]

After a bit of time, I downloaded the PAW datasets from the same link (just to be sure), and... it actually worked this time.
Although I still do not really understand what happened with the first datasets, I guess the problem is solved.