Are you meaning the line 489?
Thanks,
Jianxin
-----Original Message-----
From: "t...@theochem.tuwien.ac.at" <t...@theochem.tuwien.ac.at>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Date: Monday, December 2, 2013 3:26 AM
To: "wien@zeus.theochem.tuwien.ac.at" <wien@zeus.theochem.tuwien.ac.at>
Subject: [Wien] Fixed spin calculations with antiferromagnetic order
>Hello all,
>
>Sorry, in a previous e-mail I made a mistake. In fact, this is the line
>499
>
>if ( "$orb2" == "-orb" ) goto lcore
>
>which must be deleted. The following line (606) is ok and should NOT be
>deleted
>
>if ( "$orb2" == "-orb" ) goto lcore1
>
>Note the difference ("lcore" versus "lcore1"). I attached a corrected
>script runfsm_lapw. The bug was affecting "runfsm_lapw -orb" such that the
>results were wrong.
>
>F. Tran
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