[Pw_forum] elf+US not fully implemented?

Peter Winey peterwiney at gmail.com
Sun Jul 20 22:24:58 CEST 2008


Dear all,

I tried to generated a ELF plot using pp.x and have got the ELF plot.
However, I noticed that the output of the pp.x run contains the following
information:
-----------------------------------
Message from routine do_elf:
elf + US not fully implemented
-----------------------------------

The message itself is pretty obvious. What confused me is that a *.elf
file and a Gaussian
cube file were generated anyway. And when I checked the ELF plot, it seems
to be
reasonable in terms of the physics of system.

So, my question is which part of the "elf+US" is not fully implemented.
Also, is the ELF
result not "usable" at all since I did use US pseudo potentials in my
calculation.
BTW, I tried pwscf v3.0 and v4.0 -- both gave the above message in the pp.x
output.

Thanks in advance for your help!

-- 

-Peter

********************************************
Peter Winey, Ph.D., DuPont
peterwiney at gmail.com
********************************************
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