--------------------------------------------------------------------------- Please use the "cvs2cl.pl" script in the root directory of the distribution to produce a detailed ChangeLog --------------------------------------------------------------------------- 08/02/2005 Added the generation of PAW datasets. Experimental. (GF) 01/11/2004 p wavefunctions added to the Pt pseudopotential. (ACC) 29/10/2004 clean-up. Some routines are in flib. (ADC) 26/10/2004 Bug fix: the length of dft in readpseudo was 50. Problem introduced by merging ld1 with PWscf. (ADC) 25/10/2004 Added few additional checks for pseudopotential generation. (ADC) 13/07/2004 Various cleanup, documentation (PG) 09/07/2004 Troullier-Martins sort of working, more cleaning (PG) Pt pseudopotential updated (ADC) 06/07/2004 indentation, spelling,Troullier-Martins implementation added (incomplete and untested), examples updated (PG) 19/06/2004 Update of the output files. Added the possibility to write on file the beta functions (file_beta), the qvan functions (file_qvan), the chi functions (file_chi). (ADC) 20/05/2004 Tests, examples, documentation added in directory atomic_doc 19/05/2004 Atomic number can be replaced by atom name in input, as in the other version of the code (PG) 14/05/2004 Atomic code added to the main CVS tree in directory atomic/ Installation follows the same logic of all other codes. Routines: sph_bes erf random bachel funct which_dft capital matches functionals lsda_functionals, merged with or replaced by corresponding routines in flib/, Modules/, PW/ (PG) ---------------------------------------------------------------------- 13/04/2004 Write_upf now write the correct core charge. Small bug fix and other small improvements. Added an example for the generation of a spin-orbit US pseudopotential. (ADC) 05/04/2004 Bug fix. s local potential was not calculated correctly in relativistic case. (ADC) 01/04/2004 A US spin-orbit splitted pseudopotential reproduces the all-electron eigenvalues (ADC) 26/03/2004 Relativistic exchange introduced among the functionals (AMC) 07/03/2004 Initial work for rationalize the output files (ADC) 27/02/2004 Extra flag file_recon in test namelist to produce the appropriate file for paw reconstruction (MP) 25/02/2004 Small changes to makefile. Now the code compiles on sp4, pc_pgi and pc_ifc. (ADC) 24/02/2004 Initial release. (ADC) Simplified installation. Now test.job does not require the path.