[Wien] elastic-pressure

[Gavin Abo]

You can find information that can help you with this error in the 
trouble shooting section of Wien2k usersguide 
[http://www.wien2k.at/reg_user/textbooks/usersguide.pdf], FAQ on the 
Wien2k website [http://www.wien2k.at/reg_user/faq/qtlb.html], and by 
searching the mail archive 
[http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/].

On 1/12/2014 10:06 AM, Muhammad Shafiq wrote:
>
> Dear Wien2k users,
>
> I run cubic LaS compound for elastic properties at 0 GPa pressure, It 
> running well. Then I run LaS for pressure (5, 10 and 15) GaP follow 
> user guide, all the commands executed without any sort of error and 
> without any warning. the commands given below here
>
>
> init_elast_pressure (bring the elast.inelastp1 and make change 
> accordingly for 5, 10 and 15 GPa)
>
> cd elast
>
> elast_setup_pressure (bring the elast.inelastp2 to elast directory and 
> make change accordingly for iso, tet and trig structure)
>
> cd preussure_1
>
> ./eos.job in pressure_1 directory
>
> It gives error below
>
> Error in LAPW1
>
>  'SELECT' - no energy limits found for atom   1  L= 1
>
>  'SELECT' - E-bottom -3.22783   E-top -200.00000
>
> Please suggest me the remedy.
>
> Thanks
>
>
> -- 
> /Muhammad Shafiq
> Ph. D. Scholar
> Department of Physics
> University of Malakand, Pakistan.
> Cell: +92-3018046800/

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