[Wien] Fixed spin calculations with antiferromagnetic order

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Sun Dec 1 21:36:14 CET 2013


Yes, apparently it's only recently (in version 13) that the line was
introduced.


On Sun, 1 Dec 2013, 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:
>>
>>> Dear Prof. Blaha and others,
>>>
>>> Is it possible to do fixed spin moment calculations for
>>> antiferromagnetic order in Wien2k?
>>>
>>> Thanks,
>>> Alaska
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