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HSE06 calculations either freeze or show error
Posted: Tue Nov 26, 2024 5:25 am
by fakir_chand1
We started HSE06 calculations for various materials. it freezes after 4 readings everytime for every material we have tried. materials we tried it on are 2D TMDs. please help us with this isue 
Re: HSE06 calculations either freeze or show error
Posted: Wed Nov 27, 2024 9:51 am
by pedro_melo
Dear fakir_chand1,
Please provide us with your input files (INCAR, POSCAR, POTCAR, KPOINTS) as well as the OUTCAR and standard output for the smallest system for which this error occurs. Without them it is impossible to proved any assistance.
Kind regards,
Pedro