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Change default output from .xml to .json
enhancement
New feature or request
not critical
#18
opened Jan 11, 2022 by
RandomDefaultUser
Implement parallelization info
critical
enhancement
New feature or request
#16
opened Sep 6, 2021 by
RandomDefaultUser
Integrate with other workflow?
discussion
question
Further information is requested
#15
opened Aug 16, 2021 by
RandomDefaultUser
Add seperate parameter to specify post-processing executable
extension
not critical
#14
opened Aug 16, 2021 by
RandomDefaultUser
Implement automatic download of .cif files
critical
extension
#13
opened Aug 16, 2021 by
RandomDefaultUser
Read number of electrons from pseudopotential file
extension
not critical
#10
opened Aug 16, 2021 by
RandomDefaultUser
FInd a better way for initial convergence guesses
extension
not critical
#9
opened Aug 16, 2021 by
RandomDefaultUser
Find a better way for cell transformation matrices
extension
not critical
#8
opened Aug 16, 2021 by
RandomDefaultUser
Fix the entire MD parameter .xml structure
bug
Something isn't working
not critical
#6
opened Aug 16, 2021 by
RandomDefaultUser
Implement flexible k-grid calculation
extension
not critical
#5
opened Aug 16, 2021 by
RandomDefaultUser
Find some clever way to handle mixing
bug
Something isn't working
critical
#4
opened Aug 16, 2021 by
RandomDefaultUser
Fix number of bands
bug
Something isn't working
critical
#3
opened Aug 16, 2021 by
RandomDefaultUser
ProTip!
Follow long discussions with comments:>50.