[Wien] case.outputjoint format

[AJAY SINGH VERMA]

Sir, i put the 6 switch and got outputjoint file but it gives no plasma frequency as below
--------------------------------------------------
                                 S T R U C T U R A L   I N F O R M A T I O N
                              --------------------------------------------------


   SUBSTANCE                    = cubs2                                                                           

   LATTICE                      = B   
   LATTICE PARAMETERS ARE       =    9.3473450   9.3473450  17.2152230  90.00  90.00  90.00
   NUMBER OF ATOMS IN UNITCELL  =   3
   MODE OF CALCULATION IS       = RELA

  LOWER AND UPPER BAND-INDEX  :    1   83 LAST OCCUPIED BAND-INDEX  :   82
  EMIN, DE, EMAX              :   0.00000   0.00100   3.00000


  CPU - TIME needed:      0.0



   Lifetime broadening: 

      gamma_xx    gamma_zz    [eV]

       0.1000      0.1000

   Energy  [eV]     charge_xx          charge_zz

     -0.13606     0.95625040E-02     0.70107607E-02
     -0.12245     0.69710653E-02     0.51108445E-02
     -0.10885     0.48960019E-02     0.35895094E-02
     -0.09524     0.32799387E-02     0.24046908E-02
     -0.08163     0.20655007E-02     0.15143242E-02
     -0.06803     0.11953129E-02     0.87634498E-03
     -0.05442     0.61200014E-03     0.44868860E-03
     -0.04082     0.25818754E-03     0.18929049E-03
     -0.02721     0.76499995E-04     0.56086058E-04
     -0.01361     0.95624936E-05     0.70107531E-05
      0.00000    -0.62587372E-24    -0.45886003E-24
      0.01361     0.00000000E+00     0.00000000E+00
      0.02721     0.00000000E+00     0.00000000E+00
      0.04082     0.00000000E+00     0.00000000E+00
      0.05442     0.00000000E+00     0.00000000E+00
      0.06803     0.00000000E+00     0.00000000E+00
      0.08163     0.00000000E+00     0.00000000E+00
      0.09524     0.00000000E+00     0.00000000E+00
      0.10885     0.00000000E+00     0.00000000E+00
      0.12245     0.00000000E+00     0.00000000E+00
      0.13606     0.00000000E+00     0.00000000E+00


   Plasma frequencies: 

       w_p_xx      w_p_zz    [eV]

          NaN         NaN
#  Energy  [eV]   Im(eps)xx      Im(eps)zz      Re(eps)xx
Re(eps)zz
 
     0.013606  -0.558795E-20  -0.409681E-20   0.100000E+01   0.100000E+01
     0.027211  -0.264951E-20  -0.194249E-20   0.100000E+01   0.100000E+01
     0.040817  -0.162620E-20  -0.119225E-20   0.100000E+01   0.100000E+01
     0.054423  -0.109772E-20  -0.804795E-21   0.100000E+01   0.100000E+01
     0.068028  -0.778156E-21  -0.570506E-21   0.100000E+01   0.100000E+01
 
Date: Fri, 9 Nov 2012 04:35:07 -0700
From: gsabo at crimson.ua.edu
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] case.outputjoint format


  
    
  
  
    The UG says that the "switch" needs to
      be 6 (intraband contributions) or 7 (including contributions from
      different bands) in case.injoint to get plasma frequency in
      case.outputjoint.  Probably, your switch is set to 4 (dielectric
      tensor).

      

      On 11/9/2012 3:20 AM, AJAY SINGH VERMA wrote:

    
    
      
      
        You are right sir but how to interpret the below
        file(case.outputjoint) i dont kw how to find plasma frequency
        from that as it contain dielectric constant vs energy only

        

        
          Date: Thu, 8 Nov 2012 23:45:48 -0700

          From: gsabo at crimson.ua.edu

          To: wien at zeus.theochem.tuwien.ac.at

          Subject: Re: [Wien] case.outputjoint format

          

          I think you mean
            case.injoint.  See section 8.17.3 of the UG (http://www.wien2k.at/reg_user/textbooks/usersguide.pdf). 
            The calculated plasma frequencies will be in
            case.outputjoint.

            

            On 11/8/2012 11:04 PM, AJAY SINGH VERMA wrote:

          
          
            
             Dear users,

              can anybody tell me what is the format of case.outputjoint

              I want to calculate plasma frequency...

              thanks

              ajay

            
            

          
          

          

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