[Wien] lapw0 stuck/drained with seemingly no error message upon launching SCF

Yichen Zhang zycforphysics at gmail.com
Sun Jun 23 07:56:23 CEST 2024


Dear Peter,

My previous reply to if changing to LDA makes the xcpot1 work got held at the list moderator for review due to the attachments. Not sure how long it takes for an approval. So the short answer is no it didn’t work. Changing to different XC-switches did not solve the lapw0 hanging issue.

If the held email gets passed, there are more detailed files attached which might help with inspection and finding overlooked mistakes … hopefully :) At the moment, I don’t have a clue of why it happens.

Best regards
Yichen
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