[CPMD-list] how to run ld1 programme

Axel Kohlmeyer axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Mon Feb 14 12:48:57 CET 2005


 >>> "AK" == Axel Kohlmeyer <axel.kohlmeyer at theochem.ruhr-uni-bochum.de> writes:

[...]

AK> please also check out http://www.fhi-berlin.mpg.de/th/fhi98md/fhi98PP/
AK> which comes with a very good tutorial on pseudopotential generation.
AK> to convert the resulting pseudopotential files to format that is 
AK> readable by CPMD you can use this program:
AK> http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/file/fhi2cpmd.c

ooops. there is a typo. this correct URL is

http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/files/fhi2cpmd.c

sorry,
        axel.

--

=======================================================================
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.



More information about the CPMD-list mailing list