[Wien] elastic-pressure

[Muhammad Shafiq]

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. ScholarDepartment of PhysicsUniversity of Malakand,
Pakistan.Cell: +92-3018046800*
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