[Wien] Small agr bug in spag.f

2012-09-13 Thread Zhu, Jianxin
n Abo mailto:gs...@crimson.ua.edu>> Reply-To: A Mailing list for WIEN2k users mailto:wien at zeus.theochem.tuwien.ac.at>> List-Post: wien@zeus.theochem.tuwien.ac.at Date: Thu, 13 Sep 2012 12:46:19 -0600 To: A Mailing list for WIEN2k users mailto:wien at zeus.theochem.tuwien.ac.at>> Subject: Re: [W

[Wien] Small agr bug in spag.f

2012-09-13 Thread Gavin Abo
:19 -0600 > To: A Mailing list for WIEN2k users <mailto:wien at zeus.theochem.tuwien.ac.at>> > Subject: Re: [Wien] Small agr bug in spag.f > > The issue is not with grace. The problem only happens in a certain > case. To reproduce, try the following. > > 1

[Wien] Small agr bug in spag.f

2012-09-13 Thread Zhu, Jianxin
ly-To: A Mailing list for WIEN2k users mailto:wien at zeus.theochem.tuwien.ac.at>> List-Post: wien@zeus.theochem.tuwien.ac.at Date: Wed, 12 Sep 2012 13:32:51 -0600 To: A Mailing list for WIEN2k users mailto:wien at zeus.theochem.tuwien.ac.at>> Subject: [Wien] Small agr bug in spag.f D

[Wien] Small agr bug in spag.f

2012-09-13 Thread Gavin Abo
t; Jianxin > > > > From: Gavin Abo mailto:gsabo at crimson.ua.edu>> > Reply-To: A Mailing list for WIEN2k users > mailto:wien at > zeus.theochem.tuwien.ac.at>> > Date: Wed, 12 Sep 2012 13:32:51 -0600 > To: A Mailing list for WIEN2k users <mailto:wien at ze

[Wien] Small agr bug in spag.f

2012-09-12 Thread Gavin Abo
Dear Prof. Blaha, This is to report a small bug in Wien2k 12.1. An error like the following might occur: xmgrace TiC.bands.agr Nonterminating string: TITLE "TiC atom 1 #k ene character syntax error: TITLE "TiC atom 1 #k ene character The xmlabel is se