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The only ones that the code knows... those given in the output of
scf calculation with pw.<br>
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stefano<br>
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On 05/22/2011 03:38 PM, Seyed Mojtaba Rezaei Sani wrote:
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cite="mid:BANLkTi=CRkLVZO5G6EaVp_MhiSFTYR+9rA@mail.gmail.com"
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<pre wrap="">Dear Stefano
Thanks, but which one: reciprocal primitive or conventional vectors?
On Sun, May 22, 2011 at 4:37 PM, Stefano de Gironcoli <a class="moz-txt-link-rfc2396E" href="mailto:degironc@sissa.it"><degironc@sissa.it></a>wrote:
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<pre wrap=""> if given explicitly they are in Cartesian coordinates in unit of 2pi/a
If chosen by the ldisp=.true. flag they are given as fractions of
reciprocal lattice vectors
stefano
-
Stefano de Gironcoli - SISSA and DEMOCRITOS
On 05/22/2011 01:27 PM, Seyed Mojtaba Rezaei Sani wrote:
Dear all
I have a simple question. All q-points in phonon calculations are with
respect to reciprocal primitive vectors, aren't they?
Best regards
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