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Calculate Coulomb Integrals from VASP output

Status: Open.

#27 In QijingZheng/VaspBandUnfolding;

· reda-moukaouine opened on Oct 10, 2024

Read wavefunction from WAVRCAR for some specific purposes.

Status: Open.

#23 In QijingZheng/VaspBandUnfolding;

· hongyi-zhao opened on Aug 9, 2023

usage for hybrid/metagga bandstructure unfolding

Status: Open.

#20 In QijingZheng/VaspBandUnfolding;

· alpinnovianus opened on Jan 3, 2023

How can I obtain the inverse participation ratio (IPR) value from the WAVECAR of vasp?

Status: Open.

#15 In QijingZheng/VaspBandUnfolding;

· wxsongsh opened on Sep 10, 2021

Confusion about transformation matrix

Status: Open.

#13 In QijingZheng/VaspBandUnfolding;

· chengyangXu opened on Sep 20, 2020

Confusion about the installation

Status: Open.

#12 In QijingZheng/VaspBandUnfolding;

· Matephysics opened on Aug 29, 2020

dtype=int is not enough? (readWFHeader in vaspwfc)

Status: Open.

#10 In QijingZheng/VaspBandUnfolding;

· mr-j-s opened on May 25, 2020

Wave function in real space can't reproduce charge density from CHGCAR

Status: Open.

#9 In QijingZheng/VaspBandUnfolding;

· QianM-19 opened on Apr 24, 2020

Unfolding not working fo Si 4x4x4

Status: Open.

#7 In QijingZheng/VaspBandUnfolding;

· igorfirebolt opened on Sep 27, 2019

Deal with situation: no space between signed numbers in PROCAR

Status: Open.

#6 In QijingZheng/VaspBandUnfolding;

· niasw opened on Sep 26, 2019

elf_test error

Status: Open.

#5 In QijingZheng/VaspBandUnfolding;

· giorn opened on Mar 5, 2019

Warning and error about dtype

Status: Open.

#4 In QijingZheng/VaspBandUnfolding;

· yingxiangcai opened on Aug 10, 2018