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No, the problem is not in the case.in1 file. <br>
Did you calculate the partial charges for spin down too?<br>
If you are using the w2web interface, you should clic on spin down
and redo the different steps before plotting the DOS. <br>
It is similar for the band structure. <br>
<br>
Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
<br>
On 03/04/2012 02:43 PM, علاء عبد الحميد wrote:
<blockquote
cite="mid:CAAFiyUetNyHmt-6oyUuHJBsf-UnTsWFZJDT07nzG4n0+uUJ48w@mail.gmail.com"
type="cite">
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<div>Dears developer and subscribers</div>
<div>I tried to calculate the LDA+U for Er.</div>
<div>I statrt with spin polrized</div>
<div>then jcontso Er</div>
<div>-spin orbital </div>
<div>-dm</div>
<div>-orb</div>
<div> </div>
<div>after the scf has finishe I calculated the band structure
and the DOS for SPIN-UP only. </div>
<div>I can't do them for SPIN-DOWN</div>
<div> the proplem may be in the case.in1.</div>
<div>please advice me how can I calculate the SPIN-DOWN</div>
<div> </div>
<div>thanks in advance</div>
<div> </div>
</div>
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