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Jake Burner
,
Edward Linscott
6
Aug 8
Running wannierization outside of workflow
Thanks very much for the detailed response! Have a nice day, Jake On Thursday 8 August 2024 at 14:19:
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Running wannierization outside of workflow
Thanks very much for the detailed response! Have a nice day, Jake On Thursday 8 August 2024 at 14:19:
Aug 8
Simil Thomas
,
Edward Linscott
2
Apr 24
large number of k-points
Dear Simil, It sounds like you have the smooth interpolation functionality enabled. If you don't
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large number of k-points
Dear Simil, It sounds like you have the smooth interpolation functionality enabled. If you don't
Apr 24
Simil Thomas
,
Edward Linscott
5
Apr 4
kcp.x error
Dear Simil, The error "too many values to unpack (expected 1)" is a standard python error (
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kcp.x error
Dear Simil, The error "too many values to unpack (expected 1)" is a standard python error (
Apr 4
Abdul Muhaymin
,
Edward Linscott
4
9/20/23
KeyError: 'n_max_sc_steps is not a valid setting'
Dear Abdul, I would recommend sticking with the most recent version of koopmans. If you are attached
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KeyError: 'n_max_sc_steps is not a valid setting'
Dear Abdul, I would recommend sticking with the most recent version of koopmans. If you are attached
9/20/23
Makhlouf Kharoubi
,
Edward Linscott
5
3/27/23
build koopmans code
Dear Maklouf, One further observation -- it looks like you have not correctly configured PARA_PREFIX
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build koopmans code
Dear Maklouf, One further observation -- it looks like you have not correctly configured PARA_PREFIX
3/27/23
ru li
,
Edward Linscott
3
12/6/22
wannierize error
Dear Edward After upgrading to the latest version, the issue has been resolved, thank you for your
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wannierize error
Dear Edward After upgrading to the latest version, the issue has been resolved, thank you for your
12/6/22
Chieh-Min
,
De Gennaro Riccardo
2
10/26/22
A few questions regarding calculation of molecules
Dear Chieh-Min, I took the freedom to answer your questions. There is a logical keyword named
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A few questions regarding calculation of molecules
Dear Chieh-Min, I took the freedom to answer your questions. There is a logical keyword named
10/26/22
Chieh-Min
,
Edward Linscott
8
10/17/22
koopmans installation
Dear Edward, Thank you so much. It works. Best, Chieh-Min edwardl...@gmail.com 在 2022年10月14日 星期五晚上10:
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koopmans installation
Dear Edward, Thank you so much. It works. Best, Chieh-Min edwardl...@gmail.com 在 2022年10月14日 星期五晚上10:
10/17/22