quantum-espresso/atomic_doc

This is the distribution of the ld1 code for electronic structure 
atomic calculations and pseudo-potentials generation.

- the LD1 package, maintained by Andrea Dal Corso (SISSA, Trieste) 
  is the result of several additions to the original 
  P. Giannozzi ld1 code for pseudopotentials generation
  (See http://www.sns.it/~giannozz/software.html).

- Two new features are implemented:
  a) Generation and test of norm-conserving and ultrasoft pseudo-potentials
     with the Rappe-Rabe-Kaxiras-Joannopoulos (RRKJ) recipe
     ( Phys. Rev. B41, 1227 (1990); Phys. Rev. B 44, 13175 (1991) )
  b) Generation of fully relativistic pseudo-potentials including 
     spin-orbit coupling.

- Some features, present in the pseudo-potential code of P. Giannozzi, 
  are not available in this package. 

Input variables are described in file INPUT_LD1.
Directories all-electron/, pseudo-gen/, pseudo-test/, 
contain tests for the three modes of operation, respectively:
all-electron run, pseudo-potential generation, pseudo-potential testing. 

All the material included in this distribution is free software;
you can redistribute it and/or modify it under the terms of the GNU
General Public License as published by the Free Software Foundation;
either version 2 of the License, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.

You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
675 Mass Ave, Cambridge, MA 02139, USA.