About the two input POSCARS used by nebmake.pl
Posted: Wed Jan 23, 2013 1:48 pm
Are the two poscar files (POSCAR_ls, POSCAR_Fs) must of the same basis vectors, i.e, the cell shape and cell volume must be the same?
I got the warning as the following,
yqxie@HPC >./nebmake.pl POSCAR_ls POSCAR_Fs 10
filetype1: vasp4
filetype2: vasp4
WARNING: BASIS VECTORS ARE NOT THE SAME
BASIS ELEMENT 0 0 ...
... IS IN FILE 1: 3.96924426184704
... IS IN FILE 2: 3.97011973624273
I HOPE YOU KNOW WHAT YOU ARE DOING
OK, ALL SETUP HERE
FOR LATER ANALYSIS, PUT OUTCARs IN FOLDERS 00 and 11 !!!
Thanks for any suggestions.
I got the warning as the following,
yqxie@HPC >./nebmake.pl POSCAR_ls POSCAR_Fs 10
filetype1: vasp4
filetype2: vasp4
WARNING: BASIS VECTORS ARE NOT THE SAME
BASIS ELEMENT 0 0 ...
... IS IN FILE 1: 3.96924426184704
... IS IN FILE 2: 3.97011973624273
I HOPE YOU KNOW WHAT YOU ARE DOING
OK, ALL SETUP HERE
FOR LATER ANALYSIS, PUT OUTCARs IN FOLDERS 00 and 11 !!!
Thanks for any suggestions.