diff --git a/atomic_doc/ChangeLog b/atomic_doc/ChangeLog index 8bc6dd41b..cb8d6dd33 100644 --- a/atomic_doc/ChangeLog +++ b/atomic_doc/ChangeLog @@ -3,6 +3,8 @@ 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) diff --git a/atomic_doc/INPUT_LD1 b/atomic_doc/INPUT_LD1 index 15463e44c..f6fe47a16 100644 --- a/atomic_doc/INPUT_LD1 +++ b/atomic_doc/INPUT_LD1 @@ -123,6 +123,8 @@ Needed for pseudo-potential (PP) test. optional for PP generation: method with 3 Bessel functions fails, specifying rho0 /= 0 may allow to override the problem (using 4 Bessel functions) (default rho0 = 0.0) + lpaw =.true. : produce a PAW dataset, experimental feature + only for pseudotype=3 (default .false.) file_chi = file containing output PP chi functions (' ') file_beta = file containing output PP beta functions (' ') file_qvan = file containing output PP qvan functions (' ')