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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5716 c92efa57-630b-4861-b058-cf58834340f0
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@ -256,6 +256,10 @@ autopilot-example:
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This example (a water molecule) shows how to use cp.x to perform
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molecular dynamics with variable parameters using AUTOPILOT.
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CLS_IS_example, CLS_FS_example
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These examples show how to calculate initial-state (IS) and final-state (FS)
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core-level-shift (CLS) using the core-excited pseudo-potential technique.
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EXX_example:
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Use experimental implementation of Hybrid Functional to compute
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total energy of Silicon using different values for nq and for
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@ -1,20 +1,19 @@
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# environment_variables -- settings for running ESPRESSO examples
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# environment_variables -- settings for running Quantum ESPRESSO examples
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######## YOU MUST EDIT THIS FILE TO MATCH YOUR CONFIGURATION ########
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# BIN_DIR = path of compiled executables
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# Usually this is $TOPDIR/bin, where $TOPDIR is the root of the
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# ESPRESSO source tree.
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# Quantum ESPRESSO source tree.
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# PSEUDO_DIR = path of pseudopotentials required by the examples
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# If you have downloaded the full ESPRESSO distribution, they
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# should be already in $TOPDIR/pseudo; otherwise you may download
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# them from www.pwscf.org/pseudo.htm
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# If you have downloaded the full distribution, they should already
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# be in $TOPDIR/pseudo; otherwise you may download them from the
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# www.quantum-espresso.org web site
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# TMP_DIR = temporary directory to be used by the examples
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# Make sure that it exists, is writable by you, and doesn't
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# contain any valuable data (everything there will be destroyed!).
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#Let's set some of the directories automatically assuming the usual
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#espresso tree, and that the examples are in examples/exampleNN
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# The following should be good in many cases - pay attention to TMP_DIR !
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PREFIX=`cd ../.. ; pwd`
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BIN_DIR=$PREFIX/bin
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