[Pw_forum] problem to convert Cv (R) to Cv(in J/mol.K)

[bramha pandey]

Sorry to disturbing all of you.
 But Really i need your's help to understand the the following
results. Here i am attaching some more information which is obtained
through the F_QHA.X code.

# Zero vibration energy:      0.0000000005  (Ry/cell)
# Phonon DOS norm      :      0.000000      ! 3N for check purpose, N
number of atoms in the unit cell
# T in K, F_vib in Ry/cell, C_v in R (the universal gas constant by 3N
modes), S in k_B
#
#   T         E_internal        F_vibration          Specific heat
(C_v)       Entropy
############################################################################################################
    5.00      0.0000000005      0.0000000005           0.0000000000
      0.0000000000
   10.00      0.0000000005      0.0000000005           0.0000000000
      0.0000000000
   15.00      0.0000000005      0.0000000005           0.0000000001
      0.0000000000
   20.00      0.0000000005      0.0000000005           0.0000000002
      0.0000000001
   25.00      0.0000000005      0.0000000005           0.0000000004
      0.0000000001
   30.00      0.0000000005      0.0000000005           0.0000000010
      0.0000000002
   35.00      0.0000000005      0.0000000005           0.0000000020
      0.0000000005
   40.00      0.0000000005      0.0000000005           0.0000000036
      0.0000000008
   45.00      0.0000000005      0.0000000005           0.0000000059
      0.0000000014
   50.00      0.0000000005      0.0000000005           0.0000000090
      0.0000000021
   55.00      0.0000000005      0.0000000005           0.0000000128
      0.0000000032
   60.00      0.0000000005      0.0000000005           0.0000000172
      0.0000000045
   65.00      0.0000000005      0.0000000005           0.0000000223
      0.0000000060
   70.00      0.0000000006      0.0000000005           0.0000000278
      0.0000000079
   75.00      0.0000000006      0.0000000005           0.0000000338
      0.0000000100
   80.00      0.0000000006      0.0000000005           0.0000000402
      0.0000000124
   85.00      0.0000000006      0.0000000005           0.0000000468
      0.0000000150
   90.00      0.0000000006      0.0000000005           0.0000000537
      0.0000000179
   95.00      0.0000000006      0.0000000005           0.0000000607
      0.0000000210

Now sir question remain same how i will get the Cv value in J/Mol.K from R.?

Your valuable help is needed to me.

On Wed, Feb 1, 2012 at 9:54 PM, bramha pandey <pandey.bramha at gmail.com> wrote:
>
>
> Hi..Dear  QE users
>
> I have a problem to calculate the Cv value in J/mol.K from Cv(R gas constant). At 300K, the value of Cv is  0.0000002506 . I multiplied  0.0000002506  by 3NR(3*2*8.314) which comes 1.25*10^-5 which was very less compare to experimental Cv value.
>
> Please someone help me.
> Thanks in advanced for your kind help.
> --
> Thanks and Regards
> Bramha Prasad Pandey
> Assistant Professor (Electronics and Communication Engg)
> GLA Group of Institutions, Mathura.
> Ph. No. 08954143009
> email id pandey.bramha at gmail.com
>             bpglaitm at yahoo.co.in




-- 
Thanks and Regards
Bramha Prasad Pandey
Assistant Professor (Electronics and Communication Engg)
GLA Group of Institutions, Mathura.
Ph. No. 08954143009
email id pandey.bramha at gmail.com
            bpglaitm at yahoo.co.in