03 December 2017 1 6K Report

Dear all,

I am trying to optimize a structure which is close to groundstate because I get it from my previous Quantum Espresso output. My vasp's log say that I should increase POTIM. However, it still can reach the required accuracy.

Should I worry about the warning?

28 F= -.79061878E+02 E0= -.78726240E+02 d E =-.765339E-04 mag= 0.0000

BRION: g(F)= 0.539E-03 g(S)= 0.000E+00

BRIONS problems: POTIM should be increased

retain N= 1 mean eig= 8.92

eig: 8.915

reached required accuracy - stopping structural energy minimisation

writing wavefunctions

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