Calculation gets stuck at SETDIJ

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narayaa

Calculation gets stuck at SETDIJ

#1 Post by narayaa » Wed Aug 22, 2012 7:30 pm

Hi all,
I am performing a GGA calculation with spin orbit for bulk distorted CsGeBr3 (tetragonal). For some reason it gets stuck at this step:

----------------------------------------- Iteration 1( 8) ---------------------------------------


POTLOK: cpu time 0.27: real time 0.28
SETDIJ: cpu time 0.03: real time 0.03

I have checked that the calculation works without spin-orbit and also if there is no distortion, i.e., if there is a cubic cell. I have also tried using the CHGCAR from the calculation without spin orbit and same happens.
Any help would be greatly appreciated!
Last edited by narayaa on Wed Aug 22, 2012 7:30 pm, edited 1 time in total.

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Re: Calculation gets stuck at SETDIJ

#2 Post by support_vasp » Tue Sep 10, 2024 2:21 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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