[Pw_forum] Some problems for lambda.x

Eyvaz Isaev eyvaz_isaev at yahoo.com
Fri Apr 8 12:12:40 CEST 2005


Hi,

You used 10 delta's, so you have a dependence (indeed,
convergence) of \alpha^2F(\omega) on \delta.

In order to get more reliable dependence, more
q-points should be used, though, it is very
time-demanding, you know. 

Bests,
Eyvaz.

--- Shihn Lun <lsl0426 at yahoo.com> wrote:

> Hi Eyvaz,
> 
> Thanks for your help, I have not obtain the error
> message 'NaN', but the file 'alpha2F.dat'look not
> good.
> 
> What parameter should I heed ? the weight ?
> 
> ----------Here is my input of lambda.x---------
> 6 0.03 0
> 16
>  0.000000  0.000000  0.000000   1.00
>  0.166667  0.000000  0.166667  12.00
>  0.333333  0.000000  0.333333  12.00
>  0.500000  0.000000  0.500000   6.00
>  0.166667  0.166667  0.333333  24.00
>  0.333333  0.166667  0.500000  48.00
>  0.333333  0.333333  0.666667   8.00
>  0.000000  0.000000  0.333333   6.00
>  0.166667  0.000000  0.500000  24.00
>  0.333333  0.000000  0.666667  12.00
>  0.166667  0.166667  0.666667  24.00
> -0.333333  0.333333  0.333333   8.00
> -0.500000  0.500000  0.333333  12.00
>  0.000000  0.000000  0.666667   6.00
>  0.166667  0.000000  0.833333  12.00
>  0.000000  0.000000  1.000000   1.00
> elph.G
> elph.0.1666667,0.0000000,0.1666667
> elph.0.3333333,0.0000000,0.3333333
> elph.0.5000000,0.0000000,0.5000000
> elph.0.1666667,0.1666667,0.3333333
> elph.0.3333333,0.1666667,0.5000000
> elph.0.3333333,0.3333333,0.6666667
> elph.0.0000000,0.0000000,0.3333333
> elph.0.1666667,0.0000000,0.5000000
> elph.0.3333333,0.0000000,0.6666667
> elph.0.1666667,0.1666667,0.6666667
> elph.-0.3333333,0.3333333,0.3333333
> elph.-0.5000000,0.5000000,0.3333333
> elph.0.0000000,0.0000000,0.6666667
> elph.0.1666667,0.0000000,0.8333333
> elph.0.0000000,0.0000000,1.0000000
> --------------------------------------------
> ---------Here is alphaF.dat-----------------
> # E(THz)     0.010     0.020     0.030     0.040    
> 0.050     0.060     0.070     0.080     0.090    
> 0.100
>   0.0000   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.0302   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.0603   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.0905   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.1206   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.1508   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.1809   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.2111   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.2412   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.2714   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.3015   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.3317   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.3618   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.3920   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.4221   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.4523   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.4824   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.5126   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.5427   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.5729   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.6030   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.6332   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.6633   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.6935   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.7236   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.7538   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.7839   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.8141   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.8442   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.8744   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   0.9045   0.00004   0.00003   0.00003   0.00004  
> 0.00004   0.00004   0.00004   0.00004   0.00004  
> 0.00004
>   0.9347   0.00702   0.00528   0.00575   0.00690  
> 0.00747   0.00758   0.00747   0.00734   0.00725  
> 0.00722
>   0.9648   0.17616   0.13235   0.14428   0.17312  
> 0.18734   0.19012   0.18746   0.18397   0.18178  
> 0.18116
>   0.9950   0.58600   0.44027   0.47997   0.57589  
> 0.62319   0.63243   0.62360   0.61199   0.60470  
> 0.60265
>   1.0251   0.25856   0.19426   0.21177   0.25409  
> 0.27496   0.27904   0.27515   0.27002   0.26681  
> 0.26590
>   1.0553   0.01513   0.01137   0.01239   0.01487  
> 0.01609   0.01633   0.01610   0.01580   0.01561  
> 0.01556
>   1.0854   0.00012   0.00009   0.00010   0.00012  
> 0.00012   0.00013   0.00012   0.00012   0.00012  
> 0.00012
>   1.1156   0.00001   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   1.1457   0.00144   0.00062   0.00086   0.00110  
> 0.00119   0.00119   0.00115   0.00112   0.00111  
> 0.00113
>   1.1759   0.05255   0.02269   0.03122   0.04013  
> 0.04325   0.04321   0.04198   0.04087   0.04062  
> 0.04133
>   1.2060   0.25405   0.10968   0.15092   0.19402  
> 0.20906   0.20888   0.20292   0.19759   0.19637  
> 0.19978
>   1.2362   0.16289   0.07033   0.09677   0.12440  
> 0.13405   0.13393   0.13011   0.12669   0.12591  
> 0.12810
>   1.2663   0.01385   0.00598   0.00823   0.01058  
> 0.01140   0.01139   0.01107   0.01077   0.01071  
> 0.01089
>   1.2965   0.00016   0.00007   0.00009   0.00012  
> 0.00013   0.00013   0.00012   0.00012   0.00012  
> 0.00012
>   1.3266   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   1.3568   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   1.3869   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   1.4171   0.00000   0.00000   0.00000   0.00000  
> 0.00000   0.00000   0.00000   0.00000   0.00000  
> 0.00000
>   1.4472   0.00024   0.00120   0.00152   0.00145  
> 0.00145   0.00151   0.00154   0.00155   0.00155  
> 0.00155
>   1.4774   0.01184   0.05942   0.07528   0.07182  
> 0.07199   0.07470   0.07650   0.07691   0.07671  
> 0.07661
>   1.5075   0.07780   0.39043   0.49463   0.47189  
> 0.47298   0.49078   0.50261   0.50528   0.50397  
> 0.50335
> 
=== message truncated ===



		
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