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12 Open 16 Closed
12 Open 16 Closed
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Issues list

small bugs
#37 opened Sep 30, 2024 by LauriKurki
1 task
Code reorganization
#34 opened Sep 10, 2024 by ondrejkrejci
3 tasks
Removing duplicates PPSTM_simple
#33 opened Sep 10, 2024 by ondrejkrejci
1 task
6
Adding atoms to the npy and xsf format for fixed scan to PPSTM_simple.py
#32 opened Sep 10, 2024 by ondrejkrejci
@LauriKurki
Testing enhancement New feature or request
#13 opened Nov 29, 2022 by ondrejkrejci
Documentation documentation Improvements or additions to documentation
#10 opened Nov 24, 2022 by ondrejkrejci
K-points: Using more than Gamma point for calculations in small unit cells enhancement New feature or request
#9 opened Nov 24, 2022 by ondrejkrejci
@shayanEdalatmanesh
Adding more combinations in spd-spd dI/dV method enhancement New feature or request
#8 opened Nov 24, 2022 by ondrejkrejci
Tilting of the orbitals not in PPSTM_simple.py enhancement New feature or request
#7 opened Nov 24, 2022 by ondrejkrejci
@ondrejkrejci
Automatic Rescalling intensities according to elements enhancement New feature or request
#6 opened Nov 24, 2022 by ondrejkrejci
@ondrejkrejci
Problems with the FePc IETS iron intensity bug Something isn't working
#5 opened Nov 24, 2022 by ondrejkrejci
@ondrejkrejci
problem with FHI-aims and cube files starting not exactly at (0,0,0) enhancement New feature or request
#4 opened Nov 24, 2022 by ondrejkrejci
1
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