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Add Fermi level line and E-Ef (eV) to the band structure plot #44

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merged 5 commits into from
Apr 4, 2023
Merged

Add Fermi level line and E-Ef (eV) to the band structure plot #44

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ae59998
label E-Ef
Dec 1, 2022
8fc773e
add annotation for the Fermi level
Dec 1, 2022
f352ee8
Merge branch 'main' into fermi-line
Mar 29, 2023
2416e62
fix the issue to add Fermi level for bandstructure plot
Mar 29, 2023
bf4a149
remove the Fermi label in the bandstructure plot and enable the plot_…
Mar 29, 2023
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41 changes: 30 additions & 11 deletions js/lib/bandstructure.js
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Original file line number Diff line number Diff line change
Expand Up @@ -195,6 +195,21 @@ BandPlot.prototype.initChart = function (ticksData) {

var bandPlotObject = this;

if (this.showFermi === false) {
annotations = {};
}
else {
annotations = {
type: 'line',
id: 'band-fermi',
scaleID: 'bandA',
mode: 'horizontal',
value: 0,
borderColor: 'red',
borderWidth: 2
}
}

var chartOptions = {
type: 'scatter',
data: {
Expand Down Expand Up @@ -244,6 +259,7 @@ BandPlot.prototype.initChart = function (ticksData) {
}
}],
yAxes: [{
id: 'bandA',
display: true,
ticks: {
// change the label of the ticks
Expand All @@ -261,6 +277,9 @@ BandPlot.prototype.initChart = function (ticksData) {
}
}]
},
annotation: {
annotations: [ annotations ]
},
zoom: {
enabled: true,
mode: "y",
Expand Down Expand Up @@ -333,8 +352,8 @@ BandPlot.prototype.initDosChart = function (orientation = 'vertical') {
display: this.showLegend,
position: 'right',
labels: {
filter: function(item, chart) {
// remove the label for the dumb dataset of the y axis
filter: function (item, chart) {
// remove the label for the dumb dataset of the y axis
return !item.text.includes('y axis');
}
}
Expand Down Expand Up @@ -450,8 +469,8 @@ BandPlot.prototype.initDosChart = function (orientation = 'vertical') {
display: true,
position: 'right',
labels: {
filter: function(item, chart) {
// remove the label for the dumb dataset of the y axis
filter: function (item, chart) {
// remove the label for the dumb dataset of the y axis
return !item.text.includes('y axis');
}
}
Expand Down Expand Up @@ -772,7 +791,7 @@ BandPlot.prototype.updateBandPlot = function (bandPath, forceRedraw) {

bandPlotObject.yLabel = bandPlotObject.allData[0].Y_label;
if (bandPlotObject.yLabel === undefined) {
bandPlotObject.yLabel = 'Electronic bands (eV)';
bandPlotObject.yLabel = 'E - Ef (eV)';
}

if (bandPlotObject.myChart === undefined) {
Expand Down Expand Up @@ -806,13 +825,13 @@ BandPlot.prototype.updateDosPlot = function (orientation = 'vertical') {
// So the color fill will up to the Fermi level
dosx.forEach(function (data, k) {
if (orientation === 'vertical') {
if (data <= bandPlotObject.dosFermiEnergy) {
curve.push({ x: 0, y: data - bandPlotObject.dosFermiEnergy });
};
if (data <= bandPlotObject.dosFermiEnergy) {
curve.push({ x: 0, y: data - bandPlotObject.dosFermiEnergy });
};
} else {
if (data <= bandPlotObject.dosFermiEnergy) {
curve.push({ x: data - bandPlotObject.dosFermiEnergy, y: 0 });
};
if (data <= bandPlotObject.dosFermiEnergy) {
curve.push({ x: data - bandPlotObject.dosFermiEnergy, y: 0 });
};
};
});

Expand Down