[Pw_forum] Reg: Not able to get mean square displacements for all atoms

Paolo Giannozzi paolo.giannozzi at uniud.it
Sun Apr 14 18:43:33 CEST 2013


On Sun, 2013-04-14 at 17:49 +0530, Peram sreenivasa reddy wrote:

>                 In my QHA calculations i am getting mean square
> displacements for some atoms only. For remaining atoms it is showing
> like below. May i know the reason please. 

the reason can be deduced from the error messages:
"equivalent atomic symbols are not found" and
"end-of-file during read, unit 5, file stdin" 
(i.e. standard input).

P.
-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 




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