Author Topic: Another question about calculation error  (Read 3078 times)

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Offline kaypu

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Another question about calculation error
« 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?

Offline zh

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Re: Another question about calculation error
« Reply #1 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

Offline kaypu

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Re: Another question about calculation error
« Reply #2 on: November 10, 2012, 02:18 »
thank you zh