[Pw_forum] QE v5.1 problem with projwfc.x when using rVV10 functional

Paolo Giannozzi paolo.giannozzi at uniud.it
Fri Jun 6 12:53:18 CEST 2014


On Thu, 2014-06-05 at 21:15 -0400, Jin Chang wrote:

> projwfc.x does not run and says that the vdW_kernel_table 
> cannot be found, which makes me a bit puzzled because as far
> as I know rVV10 functional needs only rVV10_kernel_table 

the error message is not accurate, I just fixed it. Apart from 
this minor problem, I am afraid that Lorenzo is right: the logic
is that postprocessing codes read pseudopotentials from the data
directory "outdir", not from "pseudo_dir". The reason is that in
principle, one should be able to transfer data files to another 
machine and to read and process them there. Unfortunately the 
kernel table needed fornonlocal functionals, which is stored in
"pseudo_dir", is not copied in the data directory. Ideas needed.

P.
-- 
 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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