[CPMD-list] Use of KOHN-SHAM energies

[John Kofi Dogbe]

Dear CPMD users,

I have been trying to use the KOHN-SHAM keyword without success. CPMD
terminates with an error that it has a problem reading the input file. I
then tried it on the water molecule tutorial with the same error.
Here's the first few lines of the input file:

&CPMD
  KOHN-SHAM ENERGIES
  RHOOUT
  ...
&END

The program only reads the first two lines and dies! Passing options to
the keyword doesn't help either.

Is there anything more to how to specify this keyword than what the manual
says? By the way, when I use OPTIMIZE WAVEFUNCTION in place of KOHN-SHAM,
the program runs without any problem!

Any suggestions will be appreciated.
Thank you.
John
--
**The first is not necessarily the Leader**

	"If I have spoken evil, bear witness of the evil:
		but if well, why smitest thou me?"
				-- Jesus Christ (John, 18:23)