continuation of a job

Message

ccccc · #1 Post by **ccccc** » Tue Jul 16, 2013 4:21 pm

When a job was left half finished after 10 iterations, it was written at the end that "use smaller EDIFF or copy CONTCAR to POSCAR and continue"

In this case, which parameters should i change in INCAR to continue?

ISTART : from 2 to 1
ICHARG: from 2 to 0 ??

kambiz · #2 Post by **kambiz** » Wed Jul 17, 2013 11:03 am

Hi,

Where did you see that message? If you have a wavefunction, you can start or read the charges from that.

Cheers

ccccc · #3 Post by **ccccc** » Wed Jul 17, 2013 12:17 pm

Hi,
One of the calculations gives this error after 79 iterations in OSZICAR;

=====================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 15
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=====================================================================================
APPLICATION TERMINATED WITH THE EXIT STRING: Terminated (signal 15)

The other has interrupted. This queue system gives two extra output files named as VASP_run.sh.o564209 VASP_run.sh.e564209.
In VASP_run.sh.o564209, it is written that "use a smaller EDIFF or copy CONTCAR to POSCAR and continue" But when i get this error, sometimes WAVECAR and CHGCAR are empty and sometimes not. This time they are empty. So i am so confused.