typos

Message

lahaye · #1 Post by **lahaye** » Thu May 04, 2006 11:21 am

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.

Veronika · #2 Post by **Veronika** » Fri May 05, 2006 6:55 am

Don't be picky!
The program works, so what.

tjf · #3 Post by **tjf** » Fri May 05, 2006 2:58 pm

Nah, I have to get behind lahaye on this one. The k-point formatting is just plain and simple sloppy coding, and bloody annoying.

#4 Post by **admin** » Tue May 09, 2006 10:09 am

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