[Wien] (no subject)

[Tomas Kana]

Dear Sikander,

Could you send me your case.struct  file in an attachment and  the 
parameters of run


(Rmt x Kmax, Gmax, lmax, k-points in 1st Brillouin zone)?

Tomas

"


Dear Tomas Kana

Thanks for the reply, no when i give the command

run_lapw -p -ec 0.00001

and this run for 3 hours and after that i get this error.

with best regards

sikander








On Tuesday, August 26, 2014 2:14 AM, Tomas Kana <kana at seznam.cz> wrote:







Hello Sikander, 

Did this happen after init_lapw and run_lapw? 


Did init_lapw run correctly?  I think this could be some 

crude error (probably changing your structure file without 

proper init_lapw afterwards).

Tomas

"


Dear All 

Please help me, how to solve this problem

Error in LAPW1

 'SELECT' - no energy limits found for atom   4  L= 0                       
   

 'SELECT' - E-bottom   -1.28448   E-top -200.00000 

with best regards

sikander





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