[Pw_forum] What is happening?

Axel Kohlmeyer axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Wed Dec 29 19:32:07 CET 2004

On Wed, 29 Dec 2004, Paolo Giannozzi wrote:

PG> > short question:
PG> >
PG> > are you trying a gamma-point calculation with
PG> > norm-conserving pseudopotentials?
PG> >
PG> > if yes, try:
PG> >
PG> > K_POINTS {automatic}
PG> >  1 1 1 0 0 0
PG> >
PG> > instead of
PG> >
PG> > K_POINTS {gamma}
PG> what is wrong with gamma-point calculation with
PG> norm-conserving pseudopotentials???

check out the archive i sent you the other day. ;-)

i saw an error with the same error number from the 
same subroutine (not so sure about the i/o error, tho).


PG> Paolo


Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
If you make something idiot-proof, the universe creates a better idiot.

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