Download source code and example files:
- atompaw-188.8.131.52.tar.gz (3.8mb) Updated version of atompaw code (09/20/2012 -- Yann Pouillon updated the autotools for constructing the tar file; 07/16/2012 -- Geoffrey Pourois corrected GIPAW portion of pwscfinterface.f90; 06/26/12 -- NAWH corrected bug in pwscfinterface.f90 on top of previous revisions on 06/13/12 and 04/14/12 by Marc Torrent), and previous changes 10/03/11 by Marc Torrent and Yann Pouillon updating interface for use with LibXc. This version is still compatible with pwscf including recent addition by D. Ceresoli for gipaw calculations. The 3.0+ versions have several features due largely to the magic of Marc Torrent (CEA, France) and Yann Pouillon (ETSF, Spain) including compatability for use with LibXC.
- The code package now complies with linux installation standards.
- Using new options in the input file, datasets for use with abinit (replacing the need to run the separate atompaw2abinit code) or pwscf, quantum-espresso can be generated. (For developing the UPF file for use with pwscf, help from Lorenzo Paulatto and Paolo Giannozzi is gratefully acknowledged.)
- The use of atompaw with LibXC library of exchange-correlation functionals are now possible for generating datasets for abinit.
- Details are given in the user's guide written by Marc Torrent.
- Some details concerning choices of the shapes of compensation charge densities have been clarified as explained in a recent publication.
- Simple gnuplot scripts are available to help analyze some of the outputs of the atompaw program.
- pwpaw_2.4.tgz (0.2 mb) Updated 05/12/2010 version of pwpaw with very minor changes to accomodate changes to input files generated by new atompaw output files; also includes a BSD license file.
- Older versions of atompaw and pwpaw