I am trying to Optimize TiO2 bulk (Anatase), I need an examined INCAR file.
Dear Mostafa Torkashvand,
I suggest you see the links on the topic.
https://www.scm.com/doc/Tutorials/ExternalPrograms/VASPTiO2SurfaceRelaxation.html
https://www.semanticscholar.org/paper/A-Study-of-Potential-Organometallic-for-TiO2-Using-Colman-Melendez/6866717fa6e4c2648630d8bb035b214335031450
https://ww.vasp.at/forum/viewtopic.php?p=7321
https://www.tipure.cn/-/media/files/tipure/legacy/titanium-dioxide-for-coatings.pdf?rev=70975dd1245f4082841a13ef41058282
https://mattermodeling.stackexchange.com/questions/8574/the-comparison-of-bandgap-value-of-slab-and-bulk-phase
http://uu.diva-portal.org/smash/get/diva2:1510518/FULLTEXT01.pdf
Best regards
Dear Mostafa Torkashvand ,
You may find the following resource useful for the case at present.
https://www.molphys.org/VASP/volume.html
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