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lines changed Original file line number Diff line number Diff line change @@ -47,12 +47,12 @@ export class PlanewaveCutoffsContextProvider extends mix(ContextProvider).with(
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pseudos . forEach ( ( data ) => {
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// set the highest cutoff of all elements
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- if ( data ?. cutoffs ?. wfc ?. standard > ecutwfc ) {
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- ecutwfc = data . cutoffs . wfc . standard ;
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+ if ( data ?. cutoffs ?. wavefunction ?. standard > ecutwfc ) {
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+ ecutwfc = data . cutoffs . wavefunction . standard ;
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}
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- if ( data ?. cutoffs ?. rho ?. standard > ecutrho ) {
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- ecutrho = data . cutoffs . rho . standard ;
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+ if ( data ?. cutoffs ?. density ?. standard > ecutrho ) {
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+ ecutrho = data . cutoffs . density . standard ;
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} else {
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// if rho cutoff is not present, set it based on wfc cutoff
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// if it is ultrasoft pseudopotential set rho cutoff 8 times
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