Page 1 of 1
How can I get virtual crystal approximation
Posted: Sun Oct 31, 2010 5:10 am
by Mutta
Dear all
How can I get VCA in abinit
Is there in input files or other
Best.
Abdulmutta
Re: How can I get virtual crystal approximation
Posted: Wed Nov 03, 2010 5:48 pm
by blackburn
You should take a look at the algalch variable which allows for VCA:
http://www.abinit.org/documentation/hel ... ml#algalch
Re: How can I get virtual crystal approximation
Posted: Fri Nov 05, 2010 9:39 am
by Mutta
Dear Blackburn
Thanks you for your kindness
I have one more question. Do you know WDA(weight density approximation) in abinit
Best.
Abdulmutta
Re: How can I get virtual crystal approximation
Posted: Fri Nov 19, 2010 11:59 pm
by mverstra
Re: How can I get virtual crystal approximation
Posted: Tue Oct 03, 2017 3:03 pm
by mverstra
Hi all,
can we do alchemical mixing with PAW potentials as well?