The ABINIT Users Mailing List ( CLOSED )

["Willy Offermans (WOffermans)" <Willy.Offermans@catalyticcenter.rwth-aachen.de>]

Dear Abinit friends,

I have found some severe discrepancies in the results of two
different abinit versions. At location A I use abinit 5.2.4 on FreeBSD
6.2-RELEASE-p7. Abinit has been installed via the ports. At location
B I use the version 5.4.4, that is running on 64 bit Linux.

The system under inspection is O2, that is calculated with PP and PAW. The
results with PP are identical on both locations. Only the PAW
results differ.

I will include the input files and output files of the PAW calculations.
The input is the same at both locations. The output differs severely.

I hope someone can have a look and provide some feedback.

Attachment: log_LocA
Description: Binary data

Attachment: log_LocB
Description: Binary data

Attachment: O2.in
Description: Binary data

Attachment: O2_LocA.out
Description: Binary data

Attachment: O2_LocB.out
Description: Binary data

Attachment: O_GGA_abinit
Description: Binary data

Attachment: t1x.files
Description: Binary data