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( ---------------------------------------
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!
Calculation gets stuck at SETDIJ
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Calculation gets stuck at SETDIJ
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
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