[Wien] (no subject)

[sikandar azam]

Dear Sir
Thanks a lot for your kind reply.
with regards
sikander


On Wednesday, May 28, 2014 4:38 PM, Stefaan Cottenier <Stefaan.Cottenier at UGent.be> wrote:
 



> I am doing the initialization, and got this problem

The problem starts here:


> LSTART ENDS
> 0.408u 0.000s 0:25.84 1.5%      0+0k 8+5248io 0pf+0w
> ERROR !!! nstop,iter,tets,test 28 1 9.999999939225290E-009
> nstop,iter,tets,test 28 1 9.999999939225290E-009
> You have to change your atomic configuration in Y10Si6O22N2O2.inst

Very likely you have an old case.inst lingering around that is not 
compatible any longer with your case.struct. Remove case.inst, and run 
init_lapw again.

Stefaan

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