The ABINIT Users Mailing List ( CLOSED )

[Willy Offermans <Willy@offermans.rompen.nl>]

Dear abinit friends,

Did I understand correctly that a severe bug in the calculation of 
the XC energy of spin-polarized GGA calculations was fixed 
somewhere in the abinit development? I cannot find it to be mentioned
in the release notes, but maybe I'm not looking carefully enough.

I need to perform some spin-polarized GGA calculations on our
university computer cluster. The latest abinit version available is
abinit/5.4.4(default)

Does this version still suffer from the mentioned bug?

-- 
Met vriendelijke groeten,
With kind regards,
Mit freundlichen Gruessen,
De jrus wah,

Willy

*************************************
Dr. W.K. Offermans
CAT Postdoctoral Fellow
CAT Catalytic Center
Institut für Technische und Makromolekulare Chemie
RWTH Aachen
Worringerweg 1, Raum 38C-150
D-52074 Aachen, Germany
Phone:  +49 241 80 28592
Home:   +31 45 544 49 44
Mobile: +31 653 27 16 23
e-mail: Willy@Offermans.Rompen.nl
e-mail: Willy.Offermans@CatalyticCenter.RWTH-Aachen.de

                                       Powered by ....

                                            (__)
                                         \\\'',)
                                           \/  \ ^
                                           .\._/_)

                                       www.FreeBSD.org