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        Dear thermo_pw users
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        I am trying to calculate the vibrational entropy of a molecule <span style="background-color:#FFFFFF;font-size:14px;">adsorbed over a surface with thermo_pw.1.4.1 and QE 6.7. The therm.dat show taht</span><span style="text-align:justify;background-color:#FFFFFF;font-size:14px;"> </span><span style="text-align:justify;background-color:#FFFFFF;font-size:14px;">a</span><span style="text-align:justify;background-color:#FFFFFF;font-size:14px;">t 298K the T*S is 2.632eV, b</span><span style="text-align:justify;background-color:#FFFFFF;font-size:14px;">ut this</span><span style="text-align:justify;background-color:#FFFFFF;font-size:14px;"> is not consistent with the literature and is not reasonable，here are the ph_control and thermo_control.</span>
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        <span style="background-color:#FFFFFF;font-size:14px;"><span style="font-family:SimSun;"> &INPUTPH</span><br>
<span style="font-family:SimSun;">  tr2_ph=1.0d-16,</span><br>
<span style="font-family:SimSun;">  prefix='NiN4-CO',</span><br>
<span style="font-family:SimSun;">  fildyn='NiN4-CO.dyn',</span><br>
<span style="font-family:SimSun;">  ldisp=.TRUE.,</span><br>
<span style="font-family:SimSun;">  trans=.TRUE.,</span><br>
<span style="font-family:SimSun;">  nat_todo=2,</span><br>
<span style="font-family:SimSun;">  nq1=1,</span><br>
<span style="font-family:SimSun;">  nq2=1, </span><br>
<span style="font-family:SimSun;">  nq3=1,</span><br>
<span style="font-family:SimSun;">/</span><br>
<span style="font-family:SimSun;">32 33</span><br>
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                <span style="font-family:SimSun;"> &INPUT_THERMO</span><br>
<span style="font-family:SimSun;">  what='scf_disp',</span><br>
<span style="font-family:SimSun;">  ltherm_dos=.FALSE.,</span><br>
<span style="font-family:SimSun;">  ltherm_freq=.TRUE.,</span><br>
<span style="font-family:SimSun;">/</span><br>
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How do I get the right value, <span style="white-space:pre-wrap;">please help me.</span>
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                <span style="white-space:pre-wrap;">Thank you very much in advance for your time.</span>
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</span></p><pre style="white-space:pre-wrap;">Sincerely yours
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