QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kaypu on November 9, 2012, 01:26

Title: Another question about calculation error
Post by: kaypu on November 9, 2012, 01:26

Dear QuantumWise staff:

i got another problem when i calculation the two-probe system under 0.1V:
***************************************************************************
/opt/QuantumWise/atk-11.8.2/atkpython/bin/atkpython: line 3:  8058 Killed                  PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../share/pseudopotentials GPAW_SETUP_PATH=$EXEC_DIR/../share/gpaw-setups/ PYTHONHOME=$EXEC_DIR/.. PYTHONPATH= LD_LIBRARY_PATH=$EXEC_DIR/../lib $EXEC_DIR/atkpython_exec $*
******************************************************************************

what's wrong?  something wrong with PSEUDOPOTENTIALS PATH?

Title: Re: Another question about calculation error
Post by: zh on November 9, 2012, 08:08

It's not related to the path of pseudopotential library. Please check the discussion on the following link:
http://quantumwise.com/forum/index.php?topic=1533.0

Title: Re: Another question about calculation error
Post by: kaypu on November 10, 2012, 02:18

thank you zh