Yes, a typo.
On 12/1/2013 5:58 PM, Zhu, Jianxin wrote:
Hi Gavin,
In the following message, you suggest not comment line 603.
You then say line 603 is no linger in use. Are you saying line 602
instead?
Thanks,
Jianxin
From: Gavin Abo <gs...@crimson.ua.edu <mailto:gs...@crimson.ua.edu>>
Reply-To: A Mailing list for WIEN2k users
<wien@zeus.theochem.tuwien.ac.at <mailto:wien@zeus.theochem.tuwien.ac.at>>
Date: Sunday, December 1, 2013 4:36 PM
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at
<mailto:wien@zeus.theochem.tuwien.ac.at>>
Subject: Re: [Wien] Fixed spin calculations with antiferromagnetic order
I looked at it more carefully. No, do not comment line 603 in
13.1 (line 580 in 12.1). It is still used if line 596 in 13.1 is
commented. On the other hand, line 602 is no longer used and could
be commented, but it likely does not hurt if you keep it. Kind
regards.
On 12/1/2013 2:13 PM, Zhu, Jianxin wrote:
Gavin,
Are you saying for version 12.1, I should also comment out line 580?
Thanks,
Jianxin
From: Gavin Abo <gs...@crimson.ua.edu <mailto:gs...@crimson.ua.edu>>
Reply-To: A Mailing list for WIEN2k users
<wien@zeus.theochem.tuwien.ac.at
<mailto:wien@zeus.theochem.tuwien.ac.at>>
Date: Sunday, December 1, 2013 11:40 AM
To: A Mailing list for WIEN2k users
<wien@zeus.theochem.tuwien.ac.at
<mailto:wien@zeus.theochem.tuwien.ac.at>>
Subject: Re: [Wien] Fixed spin calculations with
antiferromagnetic order
*13.1*
if ( "$orb2" == "-orb" ) goto lcore1 <= Line 596
...
lcore1: <= Line 602
cp $file.in2_fsm $file.in2c <= Line 603
If we remove/comment 596, it looks like 602 and 603 will not
be used, should we comment/remove them?
*12.1*
cp $file.in2_fsm $file.in2c <= Line 580
On 12/1/2013 11:18 AM, Zhu, Jianxin wrote:
There is no such a line in the runfsm_lapw with version up to 12.1.
Which version are you referring to, 13.1?
Thanks,
Jianxin
On 12/1/13 2:00
AM,"t...@theochem.tuwien.ac.at"<t...@theochem.tuwien.ac.at> wrote:
Related to your question, recently a severe bug in the
script runfsm_lapw was fixed:
The following line has to be removed or commented
if ( "$orb2" == "-orb" ) goto lcore1
F. Tran
On Sat, 30 Nov 2013, Alaska Subedi wrote:
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