[CP2K-user] Doubt regarding global optimization using minima hopping algorithm

Aditya Goyal goyal.... at gmail.com
Sat Jan 16 10:58:07 UTC 2021

Dear Cp2k users, 

I am using minima hopping algorithm (global optimization) for calculating 
the least reactive configuration for my system. I am using DFT in Force 
Evaluation section of the input file with Default E_TARGET and E_ACCEPT. I 
took DZVP basis set with cutoff 200Ry and also with 250 Ry. I took high 
initial temperature (600 K) in minima hooping part. But minima is not 
escaping and it is not visiting any other local minima[s] in the (out) 
file. Can somebody suggest some changes that I can make in the input file 
for converging my system. Any suggestion would be appreciated. 


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