Dear Wien2k users,<br><br> I am getting an error message like this while<br>c/a optimization of a hexagonal system. I could not figure it out what it<br>means ? Any suggestion will be appreciated.<br>
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<p style="margin-bottom: 0in;">Error in LAPW0</p>
<p style="margin-bottom: 0in;"> 'SETFF1' - ifft too small in xcpot3</p>
<p style="margin-bottom: 0in;"> 'SETFF1' - 2*(KKK+1) LARGER THAN IFFT
PARAMETERS IN XCPOT3
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<p style="margin-bottom: 0in;"> 'SETFF1' - KKK= 0 0 30
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<p style="margin-bottom: 0in;"> 'SETFF1' - IIx= 0 0 30
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<p style="margin-bottom: 0in;"> 'SETFF1' - IFFT= 36 36 60 <br></p><p style="margin-bottom: 0in;"><br></p><p style="margin-bottom: 0in;"><br></p><p style="margin-bottom: 0in;">with sincere regards</p><p style="margin-bottom: 0in;">
susanta<br></p>