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# $Id: nwxc_pspw_4n.nw 23706 2013-03-07 18:28:33Z d3y133 $
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# LDA exchange-correlation
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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# GGA exchange-correlation
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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# boundary_conditions aperiodic
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# SC 20.0 #Not checking automatic unit cell generation
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# lcao #added 3/26/10 because of changed default
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boundary_conditions aperiodic
85
SC 20.0 #Not checking automatic unit cell generation
87
lcao #added 3/26/10 because of changed default
95
boundary_conditions aperiodic
97
SC 20.0 #Not checking automatic unit cell generation
99
lcao #added 3/26/10 because of changed default
107
boundary_conditions aperiodic
109
SC 20.0 #Not checking automatic unit cell generation
111
lcao #added 3/26/10 because of changed default
119
boundary_conditions aperiodic
121
SC 20.0 #Not checking automatic unit cell generation
123
lcao #added 3/26/10 because of changed default
131
boundary_conditions aperiodic
133
SC 20.0 #Not checking automatic unit cell generation
135
lcao #added 3/26/10 because of changed default
143
boundary_conditions aperiodic
145
SC 20.0 #Not checking automatic unit cell generation
147
lcao #added 3/26/10 because of changed default
155
boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default