Problems running VASP: crashes, internal errors, "wrong" results.
Moderators: Global Moderator, Moderator
-
tomic
- Newbie
- Posts: 24
- Joined: Wed Aug 04, 2010 12:19 pm
#1
Post
by tomic » Wed Mar 18, 2015 4:45 pm
Dear developers
Output field widths are not set properly in VASP, so that instead of having
Code: Select all
PROPERTY VALUE
VALUE_1 VALUE_2 ...
we often have
Code: Select all
PROPERTYVALUE
PROPERTY****
VALUE_1VALUE_2 ...
****VALUE_2 ...
This is particularly troublesome for OUTCAR and PROCAR files and makes reliable parsing very, very complicated.
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
#2
Post
by admin » Thu Mar 19, 2015 12:05 pm
Your values are much larger than expected.
You can modify corresponding formats in the source code
to have them printed properly.