From c6622f986029ca5019fd5fab1b774fb74a2a5f28 Mon Sep 17 00:00:00 2001 From: Patrick Williams Date: Wed, 10 Dec 2025 16:01:44 +0000 Subject: [PATCH] typo in call for dryrun, em dash replaced with -- to for command to correctly start dryrun calculation. --- docs/workshop/05_phonon.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/workshop/05_phonon.md b/docs/workshop/05_phonon.md index 0ab1140..c674a8c 100644 --- a/docs/workshop/05_phonon.md +++ b/docs/workshop/05_phonon.md @@ -47,7 +47,7 @@ BN is one of a family of Nitride semiconductors, which occurs in cubic zincblend Have a look in the `.param` file, look up the meaning of any keywords you don’t know (you can use `castep.serial -h `). Test your configuration using ``` - castep.serial –dryrun h-BN + castep.serial --dryrun h-BN ``` This tells CASTEP to read the intput files and summaries the calculation in the `.castep` file, but does not run the electronic structure calculation. It is very useful to check syntax before submitting to a batch queue (and finding out later you’d made a spelling mistake!).