[Wien] spin orbit calculation

[Peter Blaha]

What about reading the UG ?

The new version WIEN2k_10  has a initso, which does it for you 
automatically.

Am 23.10.2010 08:36, schrieb Mahmoud Farout:
> in the file *.inso
> 1    1     1  magnetization direction
> NX    number of atoms ......
> NX1  .........
>
> NX , NX1 must be edited?
> If yes , help me, what are their format?
> Numbers or what?
> I am trying -so calculation first time using FeN ,FCC crystal
>
> On Fri Oct 22nd, 2010 10:00 PM IST Mahmoud Farout wrote:
>
>> thank you
>> but I don't understand you
>> what did you mean by typo??
>>
>> --- On Fri, 10/22/10, Stefaan Cottenier<Stefaan.Cottenier at UGent.be>  wrote:
>>
>> From: Stefaan Cottenier<Stefaan.Cottenier at UGent.be>
>> Subject: Re: [Wien] WIEN(Spin orbit calculation)
>> To: wien at zeus.theochem.tuwien.ac.at
>> Date: Friday, October 22, 2010, 9:05 PM
>>
>>
>>> forrtl :severe(64) : input conversion error , unit 5, file ./root/........./test_so.inso
>>
>> 'input conversion error' : probably a typo in case.inso ?
>>
>> Stefaan
>>
>>
>>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671