Hello,
1. Add space between components of k-vectors in OUTCAR:
k-point 1 : 0.12500.12500.1250 plane waves: 25775
k-point 2 : 0.37500.12500.1250 plane waves: 25751
k-point 3 : -.37500.12500.1250 plane waves: 25751
k-point 4 : -.12500.12500.1250 plane waves: 25775
possibly line 1598 in wave.F.
2. to small -> too small
line 686 in electron.F
R.
typos
Moderators: Global Moderator, Moderator
-
- Full Member
- Posts: 107
- Joined: Wed Aug 10, 2005 1:30 pm
- Location: Leiden, Netherlands
-
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
typos
I will ask Georg Kresse to change that format in the future releases of VASP..
In the meantime, please change the format in line 1598 of wave.F
(vasp.4.6) from
10 FORMAT(' k-point ',I2,' : ',3F6.4,' plane waves: ',I6)
to
10 FORMAT(' k-point ',I2,' : ',3F10.4,' plane waves: ',I6)
and recompile
In the meantime, please change the format in line 1598 of wave.F
(vasp.4.6) from
10 FORMAT(' k-point ',I2,' : ',3F6.4,' plane waves: ',I6)
to
10 FORMAT(' k-point ',I2,' : ',3F10.4,' plane waves: ',I6)
and recompile
Last edited by admin on Tue May 09, 2006 10:09 am, edited 1 time in total.