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<p style="padding: 0; margin: 0;" constructor="function Object() {
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}"><span data-mce-bogus="true" id="_mce_caret"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;">Hi,<br></span></span></p><p style="padding: 0; margin: 0;" constructor="function Object() {
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}"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;">I have a question concerning the option 'automatic' for k_point card:<br data-mce-bogus="1"></span></p><p style="padding: 0; margin: 0;" constructor="function Object() {
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}"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;">In order to use the epsilon.x postprocessing tool I need a uniform k-point grid. In the manual for epsilon.x (http://web.mit.edu/espresso_v5.0.1/i386_linux26/espresso-5.0.1/PP/Doc/eps_man.pdf)<br data-mce-bogus="1"></span></p><p style="padding: 0; margin: 0;" constructor="function Object() {
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}"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;">it is said that the option automatic is not suitable:<br data-mce-bogus="1"></span></p><p style="padding: 0; margin: 0;" constructor="function Object() {
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}"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;"><br data-mce-bogus="1"></span></p><p hasownproperty="function hasOwnProperty() {
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}" style="padding: 0; margin: 0;" data-mce-style="padding: 0; margin: 0;"> must be equal to each other, i.e. in the k-points card the k-points coordinates must be given manually in crystal or alat or bohr , but not with the automatic option.</p><p hasownproperty="function hasOwnProperty() {
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}" style="padding: 0; margin: 0;" data-mce-style="padding: 0; margin: 0;"><span data-mce-bogus="true" id="_mce_caret"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;"><br></span></span></p><p hasownproperty="function hasOwnProperty() {
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}" style="padding: 0; margin: 0;" data-mce-style="padding: 0; margin: 0;"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;">On the other hand I read in the pw_user_guide (http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide.pdf) that in order to obtain a uniform k-point grid I shall use the option automatic:<br data-mce-bogus="1"></span></p><p hasownproperty="function hasOwnProperty() {
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}" style="padding: 0; margin: 0;" data-mce-style="padding: 0; margin: 0;"><span data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;"><br data-mce-bogus="1"></span></p><p style="padding: 0; margin: 0;" data-mce-style="padding: 0; margin: 0;"><span style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;" data-mce-style="font-size: 10pt; font-family: tahoma,arial,helvetica,sans-serif;"> </span>In the latter case, you should specify a uniform grid of points. For DOS calculations you should chooseoccupations='tetrahedra' together with an <span data-mce-style="color: #ff0000;" style="color: rgb(255, 0, 0);">automatically generated uniform</span> k-point grid (card KPOINTS with option \automatic").</p><p hasownproperty="function hasOwnProperty() {
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