Fix wrong output of S(k) in TDDFT calculation#4148
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mohanchen merged 5 commits intodeepmodeling:developfrom May 12, 2024
Merged
Fix wrong output of S(k) in TDDFT calculation#4148mohanchen merged 5 commits intodeepmodeling:developfrom
mohanchen merged 5 commits intodeepmodeling:developfrom
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Linked Issue
Fix (partially) #4117. This bug originated from PR #3441 (sorry I found the wrong PR at first), where the output was incorrectly set to$H(\boldsymbol{k})$ instead of the intended $S(\boldsymbol{k})$ .