[CP2K-user] [CP2K:18441] cell optimization of non orthogonal system

shamimul Ahsan shamimul1234 at gmail.com
Sat Feb 11 10:30:05 UTC 2023

Dear cp2k users,
I am trying to do cell optimization of MEI zeolite, which is hexagonal. ( 
a=b.ne.c and alpha=beta= 90 deg, gama=120 deg). But when I am running my 
input file it is abruptly terminated after few seconds. When the same input 
file (modification done in cell section for orthogonal system rest are 
same) is used for orthogonal system, it works perfectly fine.
Can anybody rectify me where I am going wrong. Any suggestion will be 
highly appreciated.

With regards
Shamimul Ahsan

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