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General Questions and Answers / Re: Restart phonon band structure calculation
« on: June 29, 2018, 13:55 »
I am using the 2017.2 version, but I will download the new version and try it there, thank you!
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General Questions and Answers / Restart phonon band structure calculation
« on: June 28, 2018, 14:37 »
Dear all,
I would like to ask how to restart a phonon band structure calculation (SO-GGA method), which includes a dynamical matrix calculation.
I've tried to restart it the way described in a tutorial ''Restarting a stopped calculation'' https://docs.quantumwise.com/tutorials/restarting_calculations/restarting_calculations.html , but I am afraid it works only for the restart of geometry optimization, because it is not working for me. My calculation was interrupted due to a time limit of my server after 20 days, already 4 out of 9 displacement files have been calculated.
Thank you!
Best regards,
Petra
I would like to ask how to restart a phonon band structure calculation (SO-GGA method), which includes a dynamical matrix calculation.
I've tried to restart it the way described in a tutorial ''Restarting a stopped calculation'' https://docs.quantumwise.com/tutorials/restarting_calculations/restarting_calculations.html , but I am afraid it works only for the restart of geometry optimization, because it is not working for me. My calculation was interrupted due to a time limit of my server after 20 days, already 4 out of 9 displacement files have been calculated.
Thank you!
Best regards,
Petra
Pages: [1]