On Wed, Jul 8, 2015 at 6:02 PM, Francesco Pelizza < [email protected]> wrote:
> > I am wondering if when you want to use the input_dft='dft+d2' > input_dft='dft+ts' > did you really wrote in input " input_dft='dft+d2' " or 'dft+ts'? then 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". 2) you shouldn't use an old version of the code (newer ones check for nonexistent DFT) Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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