uw-cmg / MAST

MAterials Simulation Toolkit for use with pymatgen
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kpoints indentation creates error for bandstructure diagrams #473

Open cmgtam opened 6 years ago

cmgtam commented 6 years ago

Jason reported: "I noticed an error in MAST for setting up the kpoints file for a bandstructure diagram. The third and fourth line in the KPOINTS file are indented one space and that creates an error in VASP."

Workaround is probably to catch the KPOINTS file right after setup but before the list in $MAST_CONTROL is submitted, and manually edit out the indentations.