[Wien] How to do fixed magnetic moment calculations?

[Peram sreenivasa reddy]

Dear Prof. Peter Blaha,

I initiated the calculations in magnetic case.

After initiating the calculations i gave run command as "runfsm_lapw -m
1.95 -ec 0.000001".

In my case.scf file i got the magnetic moment value as 1.95 bohr magneton
as i was gaven in the run command.

After this step i continued for band like as follows

x lapw1 -band -up

x lapw1 -band -dn

x irrep -up

x irrep -dn

x spaghetti -up

x spaghetti -dn

I got the same band results as previous one with run command "runsp_lapw
-ec 0.000001".

How can i proceed further?

Thank you in advance .



On Thu, Mar 6, 2014 at 10:11 AM, Peram sreenivasa reddy <
peramsreenivas at gmail.com> wrote:

> Dear Peter Blaha,
>
> Thank you very much for your replay. I will get back to you with my
> results after using this command.
>
> Thanking you ..
>
>
>
> On Wed, Mar 5, 2014 at 11:59 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at
> > wrote:
>
>> runfsm -m XX
>>
>> Am 05.03.2014 06:56, schrieb Peram sreenivasa reddy:
>>
>>> Dear Users,
>>>                   I want to fix the magnetic moment to my system. How to
>>> do these fixed magnetic moment calculations?.
>>>
>>> Thank you very much in advance.
>>>
>>>
>>>
>>>
>>>
>>> _______________________________________________
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>>>
>>>
>> --
>> -----------------------------------------
>> Peter Blaha
>> Inst. Materials Chemistry, TU Vienna
>> Getreidemarkt 9, A-1060 Vienna, Austria
>> Tel: +43-1-5880115671
>> Fax: +43-1-5880115698
>> email: pblaha at theochem.tuwien.ac.at
>> -----------------------------------------
>> _______________________________________________
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>>
>
>
>
>
>
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