3 fold local symmetry

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jholste
Guru
Posts: 5
Joined: 20 Oct 2009, 10:00

3 fold local symmetry

Post by jholste » 21 Oct 2009, 09:14

Hi!

I discovered a bug in case 3-fold local symmetry is assigned:

the line (for multipole refinement)should be

10 001 10000 1000011 100001100

but

10 001 10000 1000011 100001000

is written out to the master file!

Julian

User avatar
chuebsch
300th member
Posts: 85
Joined: 10 Nov 2009, 18:56
Location: Bayreuth

Re: 3 fold local symmetry

Post by chuebsch » 21 Oct 2009, 09:54

Thank you. Yes, there was a little typo. The new key code line should be:

Code: Select all

10 001 10000 1000001 100000100
when the symmetry is 3mX

:)

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