[CP2K-user] [CP2K:17956] Periodic and non-periodic box

[captain mus]

Dear CP2K users and developer
 I'm new in CP2K and my question are: 
1) Is there any way to print out the xyz file with the molecules ordered 
inside the box because every time I run, it always print out in an 
unordered way and to make it ordered I have to wrap it via VMD (see 
input-1). 

2) I want to perform a non-periodic in Z direction, My first attempt is to 
increase the unit cell (MULTIPLE_UNIT_CELL) by 2 or 3, but again as I 
mention in the first question the output is unordered and when I use wrap 
(VMD) it simply wrap it based on the value I seed for the pbc set. My 
second attempt is to make only periodic in XY via POISSON and  CELL (see 
input -2)  but I got an error stated that "* A non-periodic calculation has 
been requested but the system size exceeds the cell size in at least one of 
the non-periodic directions!*" any advice ?

Thank you very much for your answer
Kind regars
MUS

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