Some updates to input documentation

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10505 c92efa57-630b-4861-b058-cf58834340f0
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giannozz 2013-10-03 08:38:28 +00:00
parent b43bb27ce1
commit 14383b42b9
1 changed files with 22 additions and 0 deletions

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@ -693,6 +693,28 @@ input_description -distribution {Quantum Espresso} -package CP -program cp.x {
}
}
var ts_vdw -type LOGICAL {
default { .FALSE. }
info {
OBSOLESCENT, same as vdw_corr='TS'
}
}
var ts_vdw_econv_thr -type REAL {
default { 1.D-6 }
info {
Optional: controls the convergence of the vdW energy (and forces). The default value
is a safe choice, likely too safe, but you do not gain much in increasing it
}
}
var ts_vdw_isolated -type LOGICAL {
default { .FALSE. }
info {
Optional: set it to .TRUE. when computing the Tkatchenko-Scheffler vdW energy
for an isolated (non-periodic) system.
}
}
var assume_isolated -type CHARACTER {
default { 'none' }