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

[Jin Chang]

Dear QE users, 

I am testing out v5.1 to try rVV10 functional. So far things seem to work fine, except that I have a problem when I run the projwfc.x. 

The 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 and there was no problem running pw.x. Am I missing something completely?

Either way, I have both rVV10_kernel_table and vdW_kernel_table in the folder where I keep the pseudopotential files. I was trying to compare vdW-DF and rVV10 and I had no problem with vdW-DF (ran with v5.0.3). 

Could you please let me know what the problem is (or a mistake I am making)?  I included my input and output below. 

I appreciate your help in advance. 

All the best, 


Jin Chang, University of Toronto, Canada
 


------------------------------------------------------------------------------------------------ 
     Program PROJWFC v.5.1 starts on  5Jun2014 at 20:54: 2 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on    60 processors
     R & G space division:  proc/nbgrp/npool/nimage =      60

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1s, nr2s, nr3s values from input

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = RVV10 ( 1  4 13  4 3)
     Any further DFT definition will be discarded
     Please, verify this is what you really want

               file C.UPF: wavefunction(s)  2S renormalized

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_kernel_table (1):
     No \"vdW_kernel_table\" file could be found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

-----------------------------------------------------------------------------------
&PROJWFC
  prefix        = 'test',
  outdir        = '/some/folder/',
  ngauss = 0,
  degauss = 0.01D0,
  DeltaE = 0.005,
  lsym = .TRUE.,
  filpdos = 'some_file_name',
/
-----------------------------------------------------------------------------------