git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5716 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2009-07-18 09:48:36 +00:00
parent e050a81c14
commit c1f5c4eb98
2 changed files with 10 additions and 7 deletions

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@ -256,6 +256,10 @@ autopilot-example:
This example (a water molecule) shows how to use cp.x to perform
molecular dynamics with variable parameters using AUTOPILOT.
CLS_IS_example, CLS_FS_example
These examples show how to calculate initial-state (IS) and final-state (FS)
core-level-shift (CLS) using the core-excited pseudo-potential technique.
EXX_example:
Use experimental implementation of Hybrid Functional to compute
total energy of Silicon using different values for nq and for

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@ -1,20 +1,19 @@
# environment_variables -- settings for running ESPRESSO examples
# environment_variables -- settings for running Quantum ESPRESSO examples
######## YOU MUST EDIT THIS FILE TO MATCH YOUR CONFIGURATION ########
# BIN_DIR = path of compiled executables
# Usually this is $TOPDIR/bin, where $TOPDIR is the root of the
# ESPRESSO source tree.
# Quantum ESPRESSO source tree.
# PSEUDO_DIR = path of pseudopotentials required by the examples
# If you have downloaded the full ESPRESSO distribution, they
# should be already in $TOPDIR/pseudo; otherwise you may download
# them from www.pwscf.org/pseudo.htm
# If you have downloaded the full distribution, they should already
# be in $TOPDIR/pseudo; otherwise you may download them from the
# www.quantum-espresso.org web site
# TMP_DIR = temporary directory to be used by the examples
# Make sure that it exists, is writable by you, and doesn't
# contain any valuable data (everything there will be destroyed!).
#Let's set some of the directories automatically assuming the usual
#espresso tree, and that the examples are in examples/exampleNN
# The following should be good in many cases - pay attention to TMP_DIR !
PREFIX=`cd ../.. ; pwd`
BIN_DIR=$PREFIX/bin