As you have said, putting -eece after x spaghetti should make no
calculation difference, such that it does no harm (similar to adding
-orb [1]) as the switch currently seems to do nothing for spaghetti,
except for maybe wasting your own time from continually typing those
extra unneeded keystrokes on your keyboard.
[1]
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14566.html
On 1/16/2017 5:40 AM, Abderrahmane Reggad wrote:
Thanks Dr Gavin for your answer
- The the -eece flag exists for the script x lapw ( page 58 of the
usetguide (
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf )
and I tried it and it works well.
- Even for spaghetti I have executed the following command and it
doesn't give error but i don't know if it's correct or no.
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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