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Saturday, July 04, 2020
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  • Bugfix: patch for vasp.5.4.1

    Dear All,

    Several bugs were found in vasp.5.4.1.24Jun15.

    A patch (patch.5.4.1.08072015) with fixes can be downloaded from the download portal or our wiki.

    Gunzip and apply this patch inside the vasp.5.4.1 root directory:

    patch -p1 < patch.5.4.1.08072015

    Sorry for the inconvenience,

    The VASP team.

     

  • NEW RELEASE: VASP.5.2.12

    A new release of VASP, version 5.2.12.26May2011, is available for download now!

    P.S.: Some users have experienced download problems with the Internet Explorer (specifically with the japanese version of IE8). If you run into this problem please try another browser (firefox 3.0, Chrome, etc etc).

  • ACFDT surface and adsorption energies

    Accurate surface and adsorption energies from many-body perturbation theory

    L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, and G. Kresse

    Nature Materials 9, 741 (2010).

  • Bugfix: LORBIT=2, incorrect phase factors

    A bug was fixed in sphpro.F: for LORBIT=2 the phase factors were not correctly calculated.

  • Bugfix: QIJ not deallocated in AUGCHG (aedens.F)

    The array QIJ is allocated but not deallocated in subroutine AUGCHG in aedens.F.

    Change line 617 in aedens.F from:

    DEALLOCATE(DIST,DEP,SUM,YLM,NLI,XS,YS,ZS)

    to

    DEALLOCATE(DIST,DEP,SUM,YLM,NLI,QIJ,XS,YS,ZS)

    or download the src files.