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