Dear Prof. Peter Blaha,
Thank you very much for your replay and suggestion.
Your doubt is correct. I got the exact similar ones.
I will change the case.insp file and i will get back to you once i got the
result.
Thanking you.
On Fri, Mar 7, 2014 at 9:28 PM, Peter Blaha <pbl...@theochem.tuwien.ac.at>wrote:
> I very much doubt that you got the "same" bands, probably you got "very
> similar" ones.
>
> Anyway, runfsm uses 2 different fermi-energies for up and dn and you
> should plug in these two fermi energies into case.insp if you want to see
> the "enhanced splitting".
>
>
> On 03/07/2014 08:19 AM, Peram sreenivasa reddy wrote:
>
>> 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
>> <peramsreeni...@gmail.com <mailto:peramsreeni...@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
>> <pbl...@theochem.tuwien.ac.at <mailto:pbl...@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
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>> Getreidemarkt 9, A-1060 Vienna, Austria
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>> email: pbl...@theochem.tuwien.ac.at
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> --
>
> P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
> Email: bl...@theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/
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