[Pw_forum] About abbrevations of thermo.f

[zafar rasheed]

I am calculating thermal properties using example "example_EOS" (thermo program). I get out put but I can not understand the abbrevation "bs.d". Whereas some abbrevations (according to me)
**vol.d ==> P vs. V at various temperatures
**alpha.d ==> Thermal Exancivity Vs T
**bt.d ==> Bulk modulus vs T at various pressures
** Cp.d ==> Cp vs T at various Pressures
** Cv.d ==> Cv vs T at various pressures
** ga.d ==> Thermal gruension Parameter
** stp.d ==> Entrop vs T at various pressures
**AM I RIGHT **
Also tell me what is 4th term in weight (input and input_QHA present in QHA directry of thermo program)
****input*******
#v,#q,#freq,#unit
10,72,6,1
P= -4.2000 V= 128.0000 E= -34.511049940
0.000000000 0.000000000 0.000000000
0.000000000
0.000000000
0.000000000
389.703600000
389.703600000
689.271300000
-0.083333000 0.083333000 -0.083333000
65.161900000
65.161900000
111.638700000
388.319400000
388.319400000
685.533400000
-0.166667000 0.166667000 -0.166667000
125.786900000
125.786900000
218.804400000
384.646500000
384.646500000
674.502500000
.
.
.
.
.
weight
0.0000000 0.0000000 0.0000000 0.0011574 <=== how we can calculate it?
-0.0833333 0.0833333 -0.0833333 0.0092593
-0.1666667 0.1666667 -0.1666667 0.0092593
-0.2500000 0.2500000 -0.2500000 0.0092593
-0.3333333 0.3333333 -0.3333333 0.0092593
-0.4166667 0.4166667 -0.4166667 0.0092593
.......
......
.....
 

Muhammad Zafar
PhD Scholar
Department of Physics
The Islamia University of Bahawalpur,PakistanBest Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110804/979b330a/attachment.html>