Internal error in subroutine PRICEL

Message

sudhakar · #1 Post by **sudhakar** » Mon Feb 20, 2006 9:52 pm

Hi

I am trying to do phonon calculations for LiAlH4. The initial unit cell converges perfectly fine with no errors. But when I increase the size of the cell to a 2 2 2 supercell i.e. having 8 unit cells in the supercell my calculation crashes (doesn't even start) and gives the following error.

"VERY BAD NEWS! internal error in subroutine PRICEL (probably precision problem, try to change SYMPREC in INCAR ?):
Sorry, number of cells and number of vectors did not agree. 4"

I tried values of SYMPREC from 1E-02 to 1E-08 but everytime I get the same error.

Can someine resolve this or shed some info on the cause of the problem.

Thanks

#2 Post by **admin** » Fri Feb 24, 2006 12:39 pm

please check for the possibility of printing mistakes in POSCAR.
If there are none, increase SYMPREC to a value which matches the accuracy with which you read in the geomertry information in POSCAR

dyc_2008 · #3 Post by **dyc_2008** » Wed Apr 03, 2013 9:53 am

And I solved this problem by setting ISYM=0

hopefulp · #4 Post by **hopefulp** » Tue Jul 02, 2013 3:26 am

And I solved this problem by setting SYMPREC=1E-8