<div dir="ltr"><br><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Jul 8, 2015 at 6:02 PM, Francesco Pelizza <span dir="ltr"><<a href="mailto:francesco.pelizza@strath.ac.uk" target="_blank">francesco.pelizza@strath.ac.uk</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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I am wondering if when you want to use the input_dft='dft+d2'
input_dft='dft+ts'<br></div></blockquote><div><br></div><div>did you really wrote in input " input_dft='dft+d2' " or 'dft+ts'? then<br>1) you shouldn't: input_dft should be used only to set van der Waals non-local functionals; all other cases (semiempirical van der Waals corrections) are sety using variable "vdw_corr".<br></div><div>2) you shouldn't use an old version of the code (newer ones check for nonexistent DFT)<br><br></div><div>Paolo<br></div><div><br><br clear="all"></div></div><br>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><span><span><font color="#888888">Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216" target="_blank">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222" target="_blank">+39-0432-558222</a></font></span></span></div></div></div></div>
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