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1 parent a1c88cc commit 946de1bCopy full SHA for 946de1b
src/context/providers/PlanewaveCutoffsContextProvider.js
@@ -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;
+ if (data?.cutoffs?.wavefunction?.standard > ecutwfc) {
+ 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;
+ if (data?.cutoffs?.density?.standard > ecutrho) {
+ 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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