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11 Open 35 Closed
11 Open 35 Closed
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Issues list

[BUG] Unneeded MAGMOM tag in case of spin non-polarized calculation bug Something isn't working
#68 opened Sep 13, 2021 by ezpzbz v1.0.0
@ezpzbz
1
[BUG] Symmetry issue is treated as convergence failure
#67 opened Jun 23, 2021 by ezpzbz
SCF convergence handling
#66 opened Jun 1, 2021 by ezpzbz
[Feature] adding possibility of running SOC calculations enhancement New feature or request
#65 opened Mar 8, 2021 by ezpzbz
5 tasks
v0.4.0
@ezpzbz
[BUG] Convergence handling in static hybrid runs
#64 opened Mar 1, 2021 by ezpzbz
[BUG] Handling walltime exeeding error bug Something isn't working
#63 opened Dec 2, 2020 by ezpzbz v0.4.0
@ezpzbz
[Feature] smart action on convergence handling critical enhancement New feature or request
#58 opened Oct 23, 2020 by ezpzbz
3 tasks
v1.0.0
@ezpzbz
Update inputs in Base in case of iterations to solve issue of calculation bug Something isn't working enhancement New feature or request
#35 opened Sep 1, 2020 by ezpzbz v1.0.0
@ezpzbz
1
[Feature] Adding more workchains enhancement New feature or request
#24 opened Aug 18, 2020 by ezpzbz
3 of 4 tasks
v0.4.0
@ezpzbz
Better handling of ZBRENT: fatal error in bracketing bug Something isn't working enhancement New feature or request
#5 opened Jul 22, 2020 by ezpzbz
3 tasks done
v0.4.0
1
@ezpzbz
7
[Feature] Smart/automatic choosing of resource parameters enhancement New feature or request help wanted Extra attention is needed
#4 opened Jul 15, 2020 by ezpzbz v1.0.0
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