[CPMD-list] "how to create pseudopotential file"

[Axel Kohlmeyer]

On Sun, 15 May 2005 s101bayu at mail.chem.itb.ac.id wrote:

B> hello,

hello bayu,

with a few exceptions, creating a pseudopotential file is not a
trivial task. well, the creation itself still is, but to create
a pseudopotential that works well is difficult. there are some
links on the cpmd homepage and in the manual to codes to create
pseudopotentials. usually you're better off looking harder whether
somebody else has created (and tested) such a pseudopotential.

regards,
	axel.

B> 
B> i want to create pseudopotential file.
B> but, i dont know how to create this file. any can help me how to create
B> this file? what the program must be needed?
B> 
B> Thanks,
B> Bayu
B> _______________________________________________
B> CPMD-list mailing list
B> CPMD-list at cpmd.org
B> http://cpmd.org/mailman/listinfo/cpmd-list
B> 
B> 

-- 

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