A memory leak was found in the hybrid functional part of vasp.126.96.36.199Jun15.
A patch (patch.5.4.1.06112015) that fixes this problem 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.5.4.1.06112015
Sorry for the inconvenience,
The VASP team.
A bugs was found in the way vasp.188.8.131.52Jun15 analyses the symmetry of collinear magnetic structures.
A patch (patch.184.108.40.206082015) that fixes this problem can be downloaded from the download portal or our wiki.
patch -p1 < patch.220.127.116.11082015
Several bugs were found in vasp.18.104.22.168Jun15.
A patch (patch.5.4.1.08072015) with fixes can be downloaded from the download portal or our wiki.
patch -p1 < patch.5.4.1.08072015
A new release of VASP, version 22.214.171.124Mar2014, is available for download now (for all holders of a valid "VASP.5.2" license)!
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).
Unfortunately a bug was introduced in linear_response_NMR.F of VASP.126.96.36.199Dec2012:
This bug affects the para- and diamagnetic PAW one-center contributions of the chemical shifts.
Regrettably, we have to draw your attention to the fact that several additional bugs in VASP.188.8.131.52Dec2012 were fixed.
The source of VASP.5.3.3 in the download section of the portal and on the ftp-server has been updated.
Unfortunately a nasty bug crept into dos.F of VASP.184.108.40.206Dec2012:
In some cases this bug affects the computation of the Fermi-level, and is to be considered severe.
A new release of VASP, version 220.127.116.11Dec2012, is available for download now (for all holders of a valid "VASP.5.2" license)!
On behalf of the Vienna Computational Materials Laboratory, we would like to draw your attention to the:
Winter School "Phase stability and phase transitions in soft and hard materials" to be held February 25-March 1, 2013, in St. Christoph am Arlberg in Austria.
N.B.: beware, this is NOT a VASP workshop!
A new release of VASP, version 18.104.22.168Sep2012, is available for download now (for all holders of a valid "VASP.5.2" license)!
Karsten Held and Georg Kresse are organizing a summer school, Sept. 18-22 2012 in Vienna.
*Application deadline May 31st* More information is available at: http://www.sfb-vicom.at/summer-schools
After long and careful consideration we have decided to release a new set of POTCAR files covering the periodic table. This includes GW potentials for almost all elements.
You will find the new potentials on the download-portal and on the VASP.5.X user account of the ftp server.
An updated version of VASP.5.2.12 (dated 11Nov2011) is available from the download portal and ftp server.
A new release of VASP, version 22.214.171.124May2011, is available for download now!
The use of empty spheres was broken, is fixed now.
Compiling with the xlf compiler (version 126.96.36.199) and running on an IBM SP6 revealed several bugs (unbelievable what the ifort compiler is able to swallow and still produce running code).
N.B.: We recommend this update to all users, not only those using the xlf compiler.
Unfortunately every new release immediately triggers a few bugfixes:
We are very sorry for the inconvience.
A new release of VASP, version 5.2.11, is available for download now!
Steven C. Erwin and F. J. Himpsel
Nature Communications 1, Article Number: 58
L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, and G. Kresse
Nature Materials 9, 741 (2010).
The array QIJ is allocated but not deallocated in subroutine AUGCHG in aedens.F.
Change line 617 in aedens.F from:
or download the src files.
A new release, VASP.5.2.8, is available for download now!
M. Shishkin, M. Marsman, and G. Kresse
Phys. Rev. Lett. 99, 246403 (2007).
Judith Harl and Georg Kresse
Phys. Rev. Lett. 103, 056401 (2009).
M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt
Phys. Rev. B 73, 045112 (2006).
J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, J. G. Ángyán
J. Chem. Phys. 124, 154709 (2006), and erratum: J. Chem. Phys. 125, 249901 (2006).
J. Paier, R. Hirschl, M. Marsman, G. Kresse
J. Chem. Phys. 122, 234102 (2005).
G. Kresse, D. Joubert
Phys. Rev. B 59, 1758–1775 (1999).
P. E. Blöchl
Phys. Rev. B 50, 17953–17979 (1994).
G. Kresse, J. Furthmüller
Computational Materials Science, Volume 6, Issue 1, July 1996, Pages 15-50.
Phys. Rev. B 54, 11169–11186 (1996).