Abinit (PBE0 calculation)
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Abinit (PBE0 calculation)
**************************************************************** G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- | ----- |PBE |G0W0 |GW0 |GW |QPGW0|QPGW |Expt.| |Rutile |1.87|3.66(3.46)a|4.23|4.84|3.39 |3.85(3.82)b|3.3c | |Anatase|2.17|4.03(3.73)a|4.60|5.28|3.79 |4.12 |3.4d ...
750 viewsJul 19, 2016
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