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Band gap error for monolayer MoS2 Yambo Community Forum

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Author: openj-gate.com ~ Tags: www.yambo-code.org ~ Date: 2022/06/24

Dear developers Im trying to calculate the GW correction for monolayer MoS2 with yambo Monolayer MoS2 should have a direct band gap - Information from www.yambo-code.org

Information accuracy 100%
Read more from www.yambo-code.org information was found here: http://www.yambo-code.org/forum/viewtopic.php?t=1582

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2D material: hBN sheet The Yambo Project

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Author: openj-gate.com ~ Tags: www.yambo-code.org ~ Date: 2022/06/24

You must first follow the tutorial on bulk hBN Bands : 60 Kpoints : 7 Gvectors [RL space]: 21817 Components [wavefunctions]: 2736 - Information from www.yambo-code.org

Information accuracy 100%
Read more from www.yambo-code.org information was found here: http://www.yambo-code.org/wiki/index.php?title=2D_material:_h-BN_sheet

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Bulk material: hBN The Yambo Project

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Author: openj-gate.com ~ Tags: www.yambo-code.org ~ Date: 2022/06/24

PWSCF input files and pseudopotentials for hBN bulk pwx executable version 50 or later p2y and yambo executables Follow the instructions  - Information from www.yambo-code.org

Information accuracy 100%
Read more from www.yambo-code.org information was found here: http://www.yambo-code.org/wiki/index.php?title=Bulk_material:_h-BN

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