[Wien] Fixed spin calculations with antiferromagnetic order

[Gavin Abo]

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 <gsabo at crimson.ua.edu <mailto:gsabo at crimson.ua.edu>>
> Reply-To: A Mailing list for WIEN2k users 
> <wien at zeus.theochem.tuwien.ac.at <mailto:wien at zeus.theochem.tuwien.ac.at>>
> Date: Sunday, December 1, 2013 4:36 PM
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at 
> <mailto:wien at 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 <gsabo at crimson.ua.edu <mailto:gsabo at crimson.ua.edu>>
>>     Reply-To: A Mailing list for WIEN2k users
>>     <wien at zeus.theochem.tuwien.ac.at
>>     <mailto:wien at zeus.theochem.tuwien.ac.at>>
>>     Date: Sunday, December 1, 2013 11:40 AM
>>     To: A Mailing list for WIEN2k users
>>     <wien at zeus.theochem.tuwien.ac.at
>>     <mailto:wien at 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 $file.in2c <= Line 580
>>
>>         On 12/1/2013 11:18 AM, Zhu, Jianxin wrote:
>>>         There is no such a line in the runfsm_lapw with version up to 12.1.
>>>         Which version are you referring to, 13.1?
>>>
>>>         Thanks,
>>>
>>>         Jianxin
>>>
>>>
>>>         On 12/1/13 2:00 AM,"tran at theochem.tuwien.ac.at"<tran at theochem.tuwien.ac.at>  wrote:
>>>
>>>>         Related to your question, recently a severe bug in the
>>>>         script runfsm_lapw was fixed:
>>>>
>>>>         The following line has to be removed or commented
>>>>         if ( "$orb2" == "-orb" ) goto lcore1
>>>>
>>>>         F. Tran
>>>>
>>>>         On Sat, 30 Nov 2013, Alaska Subedi wrote:
>>
>
>
>
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