<div>thanks for the answer.</div>
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<div>I want to look Cv at 0.5 °K or less near to zero, but I worked with my values after 1 °K and I things are very good the graphic looks amazing. </div>
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<div>And the QHA works great. Congratulations for the implementation</div>
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<div class="gmail_quote">2011/2/16 Eyvaz Isaev <span dir="ltr"><<a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>></span><br>
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<div style="FONT-FAMILY: times new roman,new york,times,serif; FONT-SIZE: 12pt">Dear Wilfredo,<br><br>Yes, T_start, T_end, T_step are integers. If you like use small T_step, just go to /QHA/SRC/F_QHA.f90 and edit the line 65: <br>
<br>integer :: T_start, T_end, T_step<br><br>just change the line to real (kind=8) :: T_start, T_end, T_step<br><br>Then recompile QHA.<br>What is the temperature range you are interested in? Any problem, please let me know.<br>
<br>Bests,<br>Eyvaz.<br><br>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>
<a href="mailto:isaev@ifm.liu.se" target="_blank">isaev@ifm.liu.se</a>, <a href="mailto:eyvaz_isaev@yahoo.com" target="_blank">eyvaz_isaev@yahoo.com</a>
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<b><span style="FONT-WEIGHT: bold">From:</span></b> Wilfredo Ibarra Hernández <<a href="mailto:wibarrah@gmail.com" target="_blank">wibarrah@gmail.com</a>><br><b><span style="FONT-WEIGHT: bold">To:</span></b> <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<b><span style="FONT-WEIGHT: bold">Sent:</span></b> Tue, February 15, 2011 7:29:53 PM<br><b><span style="FONT-WEIGHT: bold">Subject:</span></b> [Pw_forum] [Pw_Forum] specific heat<br></font>
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<div class="h5"><br>Dear all.<br><br>In the past I was asked if someone worked with the calculation of specific heat. I'm working with QHA, but I have a question.<br><br>The temperature for this calculation, It's necessary be integer? because I modify the Edit_me file, but when I put delta_T with values like 0.1 the calculation not write anything in the "system.QHA.out" and I need this values because I want make a graphic "Cv/T^3 Vs. T". And the important values are near to zero.<br>
<br>Thanks for you help.<br><br><br style="COLOR: rgb(102,102,102)"><span style="COLOR: rgb(153,153,153)">~~~~~~~~~~~~~~~~~~~~~~~~~~~</span><br style="COLOR: rgb(153,153,153)"><span style="COLOR: rgb(153,153,153)">Ibarra Hernández Wilfredo</span><br style="COLOR: rgb(153,153,153)">
<span style="COLOR: rgb(153,153,153)">Master student in materials science</span><br style="COLOR: rgb(153,153,153)"><span style="COLOR: rgb(153,153,153)">Cinvestav unidad Quéretaro</span><br style="COLOR: rgb(153,153,153)">
<span style="COLOR: rgb(153,153,153)">Quéretaro, Mèxico.</span><br></div></div></div></div></div><br></div><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
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