CALYPSO

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Dear Gao, Thank you very much for your reply. You were right. There was a problem with VASP.

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Dear Pengyue Gao, Thanks a lot for the help and sharing the caly_auto_split.py file. Yes, it is

Thank you for your prompt and helpful response. I realized that I misunderstood the enthalpy

Please, increase the "volume" parameter and use the same number in the "

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Hello Calypso Users. I was wondering if anyone found a workaround for this particular problem as I

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Dear Admin, I recently submitted a job utilizing CALYPSO with GAUSSIAN-16. I kept the POPSIZE of the

Because you set "Split = T", CALYPSO will generate just 30 structures (popsize = 30) and

Besides CH molecule, other atoms should be treated as the molecule with only one atoms and written in

Dear Administration, I hope you are doing well. I am Jahanzaib Nowsherwan, a DPhil student at the

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Two molecular structure information should be written in one MOL file. The number of atoms of two

CALYPSO doesn't need to be installed. More details can be found in the manual and references [

When i execute the calypso, it would be doing for 3 time relaxing in vasp, however in between bridge

Thank you for your time and consideration On Wednesday, 24 May, 2023 at 1:15:16 pm UTC+5:30 gaopeng..

Output file is generating caly.log but file is empty. On Friday, April 28, 2023 at 10:55:22 AM UTC+5:

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Dear expert CALYSO, I am writing with regard to running on high-performance computing (HPC). At this

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Hi Aneet kumar, You can restart from previous step. If you look there manual there is option just

Dear friends, Which type of cluster is best to install CALYPSO ? GPU based ones or Cpu Based ones?I

1. You should check if the VASP work well. If not, please change the path of VASP in the submit.sh

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Dear Experts When I run the calculation for my system Y2CH3 I am always end up in getting the error