[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.
--
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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/
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If you make something idiot-proof, the universe creates a better idiot.
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