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Questions

Wrong (missing) ground state

asked by Hebatalla Elnaggar (2016/11/02 06:33)

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2016/11/02 06:33 · Hebatalla Elnaggar · 1 Comment

CFOperatorU from the Mathematica package

asked by Marius Retegan (2016/11/08 10:00)

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2016/11/08 10:00 · Marius Retegan · 1 Comment

1s2p RIXS for powder samples

asked by Marius Retegan (2017/03/01 10:23)

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2017/03/01 10:23 · Marius Retegan · 0 Comments

Installation on Mac

asked by Paul Butler (2017/03/27 02:55)

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2017/03/27 02:55 · Paul Butler · 1 Comment

Tz Operator

asked by Malte Schüler (2017/05/12 14:30)

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2017/05/12 14:30 · Malte Schüler · 1 Comment

arguments of the function "PotentialExpandedOnClm"

asked by Philipp Hansmann (2017/12/15 15:39)

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2017/12/15 15:39 · Philipp Hansmann · 2 Comments

Quanty build update

asked by james mcnulty (2018/02/16 19:08)

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2018/02/16 19:08 · james mcnulty · 1 Comment

Storing wavefunctions

asked by Philipp Hansmann (2018/06/07 08:00)

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2018/06/07 08:00 · Philipp Hansmann · 1 Comment

weight of each configuration

asked by Stefano Agrestini (2018/06/11 12:37)

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2018/06/11 12:37 · Stefano Agrestini · 2 Comments

Density matrix plots

asked by Hebatalla Elnaggar (2019/01/31 20:45)

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2019/01/31 20:45 · Hebatalla Elnaggar · 2 Comments

Installation prob

asked by chandrasekhar (2019/02/25 09:11)

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2019/02/25 09:11 · chandrasekhar · 1 Comment

Oxygen K-edge simulation

asked by Diego Carranza-Celis (2019/04/30 05:29)

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2019/04/30 05:29 · Diego Carranza-Celis · 1 Comment

Metal 3d to ligand hybridization in Td

asked by Guillaume Radtke (2019/05/21 10:22)

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2019/05/21 10:22 · Guillaume Radtke · 3 Comments

Editor for Quanty

asked by Riccardo Piombo (2019/10/06 16:52)

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2019/10/06 16:52 · Riccardo Piombo · 2 Comments

Coulomb Operator

asked by Riccardo Piombo (2019/11/15 17:41)

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2019/11/15 17:41 · Riccardo Piombo · 6 Comments

pp hybridization

asked by Riccardo Piombo (2019/12/03 12:37)

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2019/12/03 12:37 · Riccardo Piombo · 2 Comments

Using Wannier90 Hamiltonian for CF or LF

asked by Christoph Wolf (2019/12/07 07:53)

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2019/12/07 07:53 · Christoph Wolf · 1 Comment

Overcoming the logic of the restrictions option

asked by Marius Retegan (2019/12/15 14:26)

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2019/12/15 14:26 · Marius Retegan · 0 Comments

Wrong (missing) ground state Part 2

asked by Riccardo Piombo (2020/01/07 18:57)

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2020/01/07 18:57 · Riccardo Piombo · 1 Comment

Configuration energies in ligand field calculations

asked by Helene (2020/02/03 17:42)

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2020/02/03 17:42 · Helene · 1 Comment

Energy dependent Lorentzian broadening in RIXS?

asked by Hebatalla Elnaggar (2020/02/11 10:36)

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2020/02/11 10:36 · Hebatalla Elnaggar · 2 Comments

Addressing XAS and RIXS features

asked by Yu-Cheng Shao (2020/02/11 19:52)

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2020/02/11 19:52 · Yu-Cheng Shao · 1 Comment

Problems with creation and annihilation operators

asked by Carlos Alberto Martins Junior (2020/02/22 18:59)

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2020/02/22 18:59 · Carlos Alberto Martins Junior · 3 Comments

Tanabe-Tsugano diagram d^10 configuration

asked by Riccardo Piombo (2020/03/05 18:37)

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2020/03/05 18:37 · Riccardo Piombo · 2 Comments

Auger Spectroscopy

asked by Riccardo Piombo (2020/03/19 16:52)

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2020/03/19 16:52 · Riccardo Piombo · 2 Comments

Orbital energies

asked by Helene (2020/03/31 14:05)

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2020/03/31 14:05 · Helene · 1 Comment

Projection and number operator

asked by Saverio Ricci (2020/04/16 03:33)

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2020/04/16 03:33 · Saverio Ricci · 3 Comments

Problem of "Chop"

asked by Chang-Yang Kuo (2020/04/10 08:44)

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2020/04/10 08:44 · Chang-Yang Kuo · 2 Comments

PES

asked by Riccardo Piombo (2020/04/30 12:10)

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2020/04/30 12:10 · Riccardo Piombo · 9 Comments

Installation problem

asked by kooktaeKim (2020/05/12 16:28)

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2020/05/12 16:28 · kooktaeKim · 3 Comments

Unable to get a plot using Gnuplot

asked by Eeshan (2020/05/18 15:14)

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2020/05/18 15:14 · Eeshan · 1 Comment

Heidelberg workshop 2020

asked by Zack Gainsforth (2020/08/17 23:09)

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2020/08/17 23:09 · Zack Gainsforth · 0 Comments

ground state d9 + d10L

asked by Riccardo Piombo (2020/09/16 15:55)

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2020/09/16 15:55 · Riccardo Piombo · 0 Comments

Ground state of Cerium with Ligand Field Theory

asked by BODRY TEGOMO CHIOGO (2020/12/02 21:19)

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2020/12/02 21:19 · BODRY TEGOMO CHIOGO · 0 Comments

Broad structure of RIXS at M4.5 of cerium with Ligand field theory

asked by BODRY TEGOMO CHIOGO (2020/12/03 12:00)

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2020/12/03 12:00 · BODRY TEGOMO CHIOGO · 1 Comment

I don't manage to run the program

asked by Javier Herrero (2020/12/23 10:27)

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2020/12/23 10:27 · Javier Herrero · 2 Comments

I cannot install the quanty in my laptop

asked by Chamini Shammi Pathiraja (2020/12/24 01:56)

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2020/12/24 01:56 · Chamini Shammi Pathiraja · 1 Comment

Number of states

asked by BODRY TEGOMO CHIOGO (2021/01/20 20:34)

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2021/01/20 20:34 · BODRY TEGOMO CHIOGO · 4 Comments

Uploading data files in Crispy

asked by Eeshan (2021/01/23 09:35)

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2021/01/23 09:35 · Eeshan · 2 Comments

Printing several spectra

asked by Riccardo Piombo (2020/01/13 18:54)

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2020/01/13 18:54 · Riccardo Piombo · 1 Comment

Merging 2 XAS peaks using Crispy

asked by Eeshan (2021/02/09 18:44)

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2021/02/09 18:44 · Eeshan · 0 Comments

Partial Excitation NiO Example

asked by Myron Huzan (2021/02/14 16:55)

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2021/02/14 16:55 · Myron Huzan · 3 Comments

Best method for non-resonant XES

asked by Charles Cardot (2021/04/02 22:28)

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2021/04/02 22:28 · Charles Cardot · 2 Comments

Mathematica Packages expried?

asked by Andrea Amorese (2021/04/06 11:48)

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2021/04/06 11:48 · Andrea Amorese · 1 Comment

NiO Crystal Field Groundstate example

asked by Charles Cardot (2021/04/14 19:20)

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2021/04/14 19:20 · Charles Cardot · 0 Comments

I am having some problems with getting graphs

asked by Chamini Shammi Pathiraja (2021/04/18 21:43)

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2021/04/18 21:43 · Chamini Shammi Pathiraja · 7 Comments

Best Method for Radial Wave Functions

asked by Charles Cardot (2021/04/19 22:22)

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2021/04/19 22:22 · Charles Cardot · 0 Comments

Parameters of FindAllAtomsInsideSphere()

asked by Matthias Able (2021/05/21 11:23)

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2021/05/21 11:23 · Matthias Able · 5 Comments

Quanty Core Dumped

asked by William Judge (2021/06/29 20:47)

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2021/06/29 20:47 · William Judge · 1 Comment

Quanty4RIXS crysyal field parameter not working

asked by Zhaoyuan Yang (2021/07/07 18:54)

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2021/07/07 18:54 · Zhaoyuan Yang · 1 Comment

Quanty4RIXS Plotting using .lua file

asked by Zhaoyuan Yang (2021/07/15 22:28)

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2021/07/15 22:28 · Zhaoyuan Yang · 1 Comment

XAS $M_{4,5}$ partial excitations

asked by BODRY TEGOMO CHIOGO (2021/09/21 18:20)

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2021/09/21 18:20 · BODRY TEGOMO CHIOGO · 1 Comment

Reuse every single determinant constituting the eigenstate

asked by Ruiwen Xie (2021/11/11 12:20)

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2021/11/11 10:40 · Ruiwen Xie · 2 Comments

L edge XAS including rare earth 5d orbital with elliptic DOS

asked by Ruiwen Xie (2021/12/05 22:16)

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2021/12/05 22:16 · Ruiwen Xie · 1 Comment

Quanty manual

asked by Chamini Shammi Pathiraja (2021/12/07 02:10)

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2021/12/07 02:10 · Chamini Shammi Pathiraja · 1 Comment

DFT to MLFT CreateAtomicIndicesDict function

asked by Ruiwen Xie (2022/02/03 16:05)

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2022/02/03 16:05 · Ruiwen Xie · 2 Comments

I unable to run the program

asked by Jyoti Sahu (2022/02/05 18:33)

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2022/02/05 18:33 · Jyoti Sahu · 6 Comments

Recreate DensityMatrixPlot

asked by David Tam (2022/03/27 19:10)

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2022/03/27 19:10 · David Tam · 2 Comments

Input from DFT

asked by Karel Carva (2022/05/26 11:38)

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2022/05/26 11:38 · Karel Carva · 1 Comment
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