Skip to content
Discussion options

You must be logged in to vote
&SPEC ID='ABS' /

should be removed. It contradicts the REAC line because it provides no information about this species. Also, your MESH dimensions are probably far too large for your computer.

Replies: 2 comments 28 replies

Comment options

You must be logged in to vote
8 replies
@mcgratta
Comment options

Answer selected by mcgratta
@Heng-sen
Comment options

@Heng-sen
Comment options

@drjfloyd
Comment options

drjfloyd Dec 3, 2025
Collaborator

@Heng-sen
Comment options

Comment options

You must be logged in to vote
20 replies
@Heng-sen
Comment options

@Heng-sen
Comment options

@mcgratta
Comment options

@drjfloyd
Comment options

@mcgratta
Comment options

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Category
Q&A
Labels
None yet
4 participants