quantum-espresso

History

giannozz 7a187311db diropn moved from PW/ into module io_files (where it belongs). davcio also moved into file Modules/io_files.f90 but not inside module io_files. A better place is in flib/ in my opinion. Removed dependency of CP upon PW. Lots of changes but ne substantial or dangerous change. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6835 c92efa57-630b-4861-b058-cf58834340f0		2010-06-13 11:29:12 +00:00
..
Doc	Towards RC3, try 1	2010-04-12 13:31:53 +00:00
Examples	Removing undocumented/untested feature from test: Symmetry operations in calculating abs. coefficient.	2010-04-15 13:07:26 +00:00
src	diropn moved from PW/ into module io_files (where it belongs). davcio also	2010-06-13 11:29:12 +00:00
tools	A slight feature improvement: The peak detector now reports the intensity too.	2010-06-07 09:09:11 +00:00
.dependencies	This is the merge with the main qe tree	2009-09-18 10:47:47 +00:00
Makefile	Main Makefile now checks whether the empty bin directory as dictated by the module framework is	2010-03-01 15:04:09 +00:00
README	Some README files as suggested by Layla	2010-02-10 13:53:10 +00:00

README

Time Dependent Density Functional Perturbation Theory (TDDFPT)

Version BETA 1 (02/2010)

This module uses subroutines from PW and PH along with the general infrasturcture provided by
Quantum Espresso. 

The directory TDDFPT must reside immediately under the espresso directory for Makefiles to work. 

Standart compilation: Run "make tddfpt" in espresso directory where TDDFPT is a subdirectory
 
Directory Structure: 
bin      : The tddfpt related binaries
src      : The source files
Doc      : The manual
Examples : Examples and tests. If you run make under this subdirectory
           a full test is initiated (requires tddfpt to be compiled first).
           You can also perform a shorter test by "make small_test". Each example has its
           own seperate Makefile. Please refer to the README under this subdirectory for
           further information. 
tools    : Various tools:
           1) The postprocessing code for calculating absorption spectrum and polarizabilities.
           2) A script to recover reduced liouvillian in a format comprehensible to postprocessing
              code from the stdout.