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mori0711 2017-06-03 20:25:55 +09:00
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@ -25,7 +25,7 @@ Standard Setting
"6", "Cutoff for Charge", "kinetic energy cutoff for charge density"
"7", "Total Charge", "Total charge of the system. +1 means one electron lost from calculation cell. -1 means one electron add to calculation cell."
"8", "Use Symmetry", "Use Symmetry"
"9", "K-Points", ""
"9", "K-Points", "Monkhorst-Pack scheme"
"10", "Occupations", ""
"11", "Smearing", "select smearing method"
"12", "Smearing Width", ""