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

nina sofia nina_fia at hotmail.com
Thu Feb 19 09:57:07 CET 2009


Thanks Prof Blaha for your help by solving my w2web problem.
Now,  w2web can be connected. But there are an error when doing initialize calculation for TiC. the problem is :

commandline: x nn 
Program input is :"2"

/root/Wein2K/nn: command not found
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? 

_________________________________________________________________
Manage multiple email accounts with Windows Live Mail effortlessly.
http://www.get.live.com/wl/all
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090219/943f5ced/attachment.html


More information about the Wien mailing list