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- From: Thomas Maxisch <Thomas.Maxisch@epfl.ch>
- To: forum@abinit.org
- Subject: Third line for fhi pseudos
- Date: Fri, 31 Jan 2003 12:24:59 +0100
Hello,
I have a little problem with fhi pseudopotentials which are generated with core corrections.
following the psp6.info file, I took the rchrg value to a reasonable one.
But what have I to chose for frchrg. I do not understand the comment in psp6.info.
Can anybody give me a hint?
Thanks a lot,
Thomas
--
__________________________________________________________________________
Thomas Maxisch
EPFL SB-ITP/CPNMC
PHB-Ecublens
CH-1015 Lausanne
Switzerland
Tel : +41 (0) 21 693 45 16
Fax : +41 (0) 21 693 44 44
Email : Thomas.Maxisch@epfl.ch
__________________________________________________________________________
- Third line for fhi pseudos, Thomas Maxisch, 01/31/2003
- Re: [abinit-forum] Third line for fhi pseudos, verstraete, 01/31/2003
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