[Wien] initialize calculation for x nn: command not found

[Peter Blaha]

It seems you made a misstype ??

> /root/Wein2K/nn: command not found

There is a difference between Wein2k and Wien2k !

> 0.00u  0.00s  0:00.00 0.0%  0+0k 0+0io 0pf+0w.
> 
> That's the result i get from initialize calculation for x nn . even 
> though i continue calculate with initial_lapw. an error will also come 
> which is command not be found in /root/Wien2K/sgroup. i already check my 
> file in /root/TiC and there have a mistoutput file. the output states :
> 
> init:0.0000000 /1
> after regexp:0.0000000 /1
> before eval: = 1.0 * 0.0000000  * 1.0
> result:0
> result_afterwards:0
> init:0.0000000 /1
> after regexp:0.0000000 /1
> before eval: = 1.0 * 0.0000000  * 1.0
> result:0
> result_afterwards:0
> init:0.0000000/1
> after regexp:0.0000000/1
> before eval: = 1.0 * 0.0000000 * 1.0
> result:0
> result_afterwards:0
> init:/2
> after regexp:/2
> before eval: = 1.0 *  * 1.0
> result:00
> result_afterwards:0
> init:/2
> after regexp:/2
> before eval: = 1.0 *  * 1.0
> result:00
> result_afterwards:0
> init:/2
> after regexp:/2
> before eval: = 1.0 *  * 1.0
> result:00
> result_afterwards:0
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000/1
> after regexp:0.00000000/1
> before eval: = 1.0 * 0.00000000 * 1.0
> result:0
> result_afterwards:0
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000/2
> after regexp:0.50000000/2
> before eval: = 1.0 * 0.50000000 * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000/1
> after regexp:0.00000000/1
> before eval: = 1.0 * 0.00000000 * 1.0
> result:0
> result_afterwards:0
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000/2
> after regexp:0.50000000/2
> before eval: = 1.0 * 0.50000000 * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000/1
> after regexp:0.00000000/1
> before eval: = 1.0 * 0.00000000 * 1.0
> result:0
> result_afterwards:0
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000/2
> after regexp:0.50000000/2
> before eval: = 1.0 * 0.50000000 * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000/1
> after regexp:0.00000000/1
> before eval: = 1.0 * 0.00000000 * 1.0
> result:0
> result_afterwards:0
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000/2
> after regexp:0.50000000/2
> before eval: = 1.0 * 0.50000000 * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000 /1
> after regexp:0.00000000 /1
> before eval: = 1.0 * 0.00000000  * 1.0
> result:0
> result_afterwards:0
> init:0.00000000/1
> after regexp:0.00000000/1
> before eval: = 1.0 * 0.00000000 * 1.0
> result:0
> result_afterwards:0
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000 /2
> after regexp:0.50000000 /2
> before eval: = 1.0 * 0.50000000  * 1.0
> result:0.5
> result_afterwards:0.5
> init:0.50000000/2
> after regexp:0.50000000/2
> before eval: = 1.0 * 0.50000000 * 1.0
> result:0.5
> result_afterwards:0.5
> 
> How to solve this problem again?
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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