Skip to Content.
Sympa Menu

forum - Third line for fhi pseudos

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Third line for fhi pseudos


Chronological Thread 
  • 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
__________________________________________________________________________




Archive powered by MHonArc 2.6.16.

Top of Page