[CP2K-user] [CP2K:16907] GEO_OPT a C3N4 structure can not get a reasonable structure

[chong wang]

Hi all,
when I optimized a C3N4 structure with xy and  xyz periodic, the resulting 
structure collapses and becomes chaotic，can not get a reasonable result. 
But the results optimized with Vasp seemed reasonable, did not appear 
similar problem. How could I improve  that ?

Best 
Chong[image: cp2k.png][image: vasp.png]

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