Needing a run file for generating a string of kpoints
Posted: Mon Aug 19, 2013 11:20 pm
Dear VASP users;
I am trying to generate a string of kpoints between to high semmetry Kpoints, say Gamma and X. so I have used VASP manual and change my KPOINT file to sth like this:
GAMMA
0
L
Kpoint
100
Line-mode
cart
0.0 0.0 0.0 ! GAMMA
0.5 0.5 0.0 ! X
I want to run this file and then separate the whole numbers of KPOINTs to three separate files, say KPOINT.1, KPOINT.2, etc.
I don't know how can I have such a file for running my script?
Would you please let me know the answer? It is kind of emergency &|
Thanks,
Zahra
I am trying to generate a string of kpoints between to high semmetry Kpoints, say Gamma and X. so I have used VASP manual and change my KPOINT file to sth like this:
GAMMA
0
L
Kpoint
100
Line-mode
cart
0.0 0.0 0.0 ! GAMMA
0.5 0.5 0.0 ! X
I want to run this file and then separate the whole numbers of KPOINTs to three separate files, say KPOINT.1, KPOINT.2, etc.
I don't know how can I have such a file for running my script?
Would you please let me know the answer? It is kind of emergency &|
Thanks,
Zahra