<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Can you help me? Thank you very much !<br><br><br><br><br><div></div><div id="divNeteaseMailCard"></div><br><pre><br>在 2013-05-21 16:54:34,"Paolo Giannozzi" <paolo.giannozzi@uniud.it> 写道:
>On Tue, 2013-05-21 at 10:29 +0800, 李晓川 wrote:
>
>> Why no answers??
>
>maybe because your questions are either too generic or too confused
>or written in too bad English? and nobody has time to waste answering
>ill-posed questions?
>
>P.
>
>> At 2013-05-18 22:04:41,"李晓川" <18733462676@163.com> wrote:
>> Dear all,
>> When I calculate the phonon band,there are some
>> questions ,I want some help fro yours,
>> The questions are followed as bellow,
>> 1,Before the phonon calculation , must the lattice
>> parameters be relaxed ? Can I use the crystal parameters
>> fully relaxed by other software,e.g ,CASTEP code? or the
>> lattice parameter of experimental?
>> 2.I want to know whether the frequency at gamma is hard to
>> calculate to be preferable(ideal)?
>> 3.What are the common questions about phonon band calculation?
>> Finally,I am looking forward to the calculational experience
>> from you to get the ideal phonon band plot.e,g,the setting of
>> parameter in code,
>> Thank you very much ,
>> best wishes.
>>
>>
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>
>--
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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