A new release of VASP, version 5.2.11, is available for download now!
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List of changes:
vasp.5.2.11 (changes w.r.t. vasp.5.2.8, i.e., the last release version) ----------- 2010-07-05 Bugfix to force.F: crashed for MBJ meta-GGA calculations. 2010-07-07 Changes that allow vasp.5.2 to be linked against fftmpiw instead of fftmpi (now vasp.5.2 is as fast as vasp.4.6 again). Changes to the output of bse.F and chi.F to the vasprun.xml file. 2010-07-09 Changes to poscar.F: changed the header of the XDATCAR file Several changes that will hopefully allow vasp.5.2 to compile on IBM. 2010-07-26 Bugfixes to aedens.F and sphpro.F (for LORBIT=2 the phase factors were wrong). 2010-07-27 Changes needed to compile vasp.5.2 on IBM. 2010-08-03 Bugfix to bse.F (xml writer related). Bugfix to xml.F: negative eigenvalues with more than two digits before the decimal point were not written out correctly. Change to metagga.F: added a spherical cutoff in reciprocal space on the kinetic energy density. 2010-08-04 Changes to reader.F: the ALGO tag has been extended (ALGO= subrot | none | nothing have been added). Changes to reinstate the ability to add empty spheres. Fixed a few things that the ifort compiler swallows but any other wouldn't. 2010-08-12 Selfconsistent meta-GGAs (TPSS and revTPSS) implemented. 2010-08-20 Added the constrained dynamics, thermostats, and Grimme's method of including van der Waals interactions, as implemented by Tomas Bucko. 2010-09-13 Bugfix to LDApU.F. Bugfix to MBJ in metagga.F: caused a crash on IBM. Bugfix to paw.F (memory leakage in metagga calculations). Changes to reader.F: the ALGO tag has been extended (ALGO= eigenval has been added). Bugfix in electron.F: IALGO=3 and IALGO=4 were interchanged. 2010-10-19 Interface between VASP and Wannier90 added. 2010-11-26 Removed LREAL_COMPAT mode (ensured compatibility with the erroneous behaviour of vasp.4.4!). 2010-12-01 Bugfix to nmr.F: ) One call to SETDIJ_AVEC_ should have been to SETDIJ_AVEC_ONE_CENTER Bugfix to us.F: ) An END SUBROUTINE SETDIJ_AVEC_ should have been END SUBROUTINE SETDIJ_AVEC_ONE_CENTER Bugfix to david_inner.F: ) Could not be compiled without scaLAPACK. Can be now, but will not work correctly. Is still heavily under development any way. N.B.: This list is by no means complete!