[Wien] spin orbit calculation

Mahmoud Farout mq2021 at yahoo.com
Sat Oct 23 08:36:43 CEST 2010


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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