[Wien] Fixed spin calculations with antiferromagnetic order

Zhu, Jianxin jxzhu at lanl.gov
Sun Dec 1 19:18:34 CET 2013


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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