QuantumVITAS development progress 6 (02.Aug.2020): PHONON calculations implemented

QuantumVITAS development progress 6 (02.Aug.2020): PHONON calculations implemented

QuantumNerd

3 года назад

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@sauravlahiri690
@sauravlahiri690 - 02.08.2020 20:56

Great going sir!! Please include van der Waals corrected dft for layered materials and exchange energy calculation in magnetic system. Thanks a ton 😊

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@gaussianbilgi
@gaussianbilgi - 02.08.2020 21:59

Thank you for video

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@rivertate3402
@rivertate3402 - 02.08.2020 23:34

Thank you for the video. Can you upload a tutorial in future regarding the calculation of wannier charge center and berry phase calculation by using wannier90 package?

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@sadiqshahriyarnishat646
@sadiqshahriyarnishat646 - 03.08.2020 10:13

wow!! that is fantastic!! please carry on the good work! i hope you will very soon implement EPW calculation. :D

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@Hunar1997
@Hunar1997 - 03.08.2020 12:50

Does it support mpirun yet?

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@ziadrashed9729
@ziadrashed9729 - 04.08.2020 04:23

Can you add piezoelectric properties?

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@PrinceSharma-ki2ds
@PrinceSharma-ki2ds - 09.08.2020 19:57

Sir,
this new feature is not there in vitas. Please add how to do phonon calculation. Will you please add the optical calculation basically e1 and e2.

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