[CP2K-user] Unexpected output got
vasanth kumar
vasan... at gmail.com
Thu Oct 24 05:04:45 UTC 2019
Hi
I ran geometry optimization for a molecule(file is attached). I saw a vague
output. What is the mistake in my input? pl suggest.
Attaching input and out files
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Name: coumraniethanol.inp
Type: chemical/x-gamess-input
Size: 2129 bytes
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Name: coumraniethanol.out
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Name: cou-pos-1.xyz
Type: chemical/x-xyz
Size: 347800 bytes
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