605

Degenerate orbitals of d state of chemical elements on Akai KKR code

Last Post : April 01, 2024 (Mon) 01:22:17

0

Mariem

602

マフィンティン半径に関する質問

Last Post : April 03, 2024 (Wed) 16:13:43

2

久木田　真治

600

compile AkaiKKR on GPU

Last Post : February 22, 2024 (Thu) 04:02:53

0

Jerry Lee

598

How to calculate magnetic exchange parameters?

Last Post : December 08, 2023 (Fri) 05:00:55

0

YAOSHUNWEI

597

determining lattice constant

Last Post : September 29, 2023 (Fri) 19:17:23

0

TISKAR MUSTAPHA

592

How to convert spc into a E-vs.-k ASCII matrix?

Last Post : August 28, 2023 (Mon) 10:58:50

4

Jerry Lee

591

spc calculation problem

Last Post : May 15, 2023 (Mon) 18:45:15

0

XingYu Su

589

jkkr not implemented

Last Post : December 17, 2023 (Sun) 02:37:48

1

kristofer

587

optical properties

Last Post : December 18, 2022 (Sun) 20:15:12

0

Amahouch Addelhamid

579

error in spc calculation

Last Post : September 21, 2022 (Wed) 01:44:25

1

Md. Jafrul Sadique Hossain

578

err in potenv...type not found

Last Post : September 28, 2022 (Wed) 14:04:20

3

Jerry Lee

576

Installation Akai kkr package

Last Post : September 01, 2022 (Thu) 11:29:05

1

Md. Jafrul Sadique Hossain

574

Installation Akai kkr package

Last Post : August 31, 2022 (Wed) 15:42:27

1

Md. Jafrul Sadique Hossain

571

Installation on windows

Last Post : August 30, 2022 (Tue) 12:46:09

1

Md. Jafrul Sadique Hossain

570

error message (wrn in readin .... illegal input:check the following or preceding cards)

Last Post : October 26, 2022 (Wed) 00:08:35

2

Shuotong Zong

568

Problem in go

Last Post : August 16, 2022 (Tue) 17:21:40

1

Shuotong Zong

565

f-electrons treatment in AkaiKKR

Last Post : February 15, 2023 (Wed) 19:46:29

1

ibrahim

562

NdFe11Ti input

Last Post : June 06, 2022 (Mon) 23:51:55

2

ibrahim

561

kkr-sic and exchange parameters Jij

Last Post : August 04, 2022 (Thu) 00:33:35

1

Ze-Li Xu

558

価電子の電荷分布密度の可視化について

Last Post : May 11, 2022 (Wed) 12:55:39

2

鹿子木　将明

556

Density of state of SnO2 co-doped

Last Post : March 05, 2022 (Sat) 19:30:03

0

Mariem

549

Elastic constants

Last Post : December 17, 2021 (Fri) 16:27:02

3

Ivan Lobzenko

547

strange relativistic (sra, srals) DOS

Last Post : January 11, 2022 (Tue) 21:43:08

3

Rafal Topolnicki

541

構造最適化におけるマフィンティン半径について

Last Post : November 19, 2021 (Fri) 13:57:53

4

新德誠也

538

Fermi Energy in insulator/semiconductor

Last Post : November 30, 2021 (Tue) 00:16:55

2

Yohanes Pramudya

536

Energy difference too large for two phases

Last Post : October 14, 2021 (Thu) 20:29:29

0

Hong Jian Zhao

533

About LDA+U or GGA+U calculation

Last Post : October 14, 2021 (Thu) 20:29:50

2

Hong Jian Zhao

529

magnetization calculation for LaFeO3

Last Post : October 11, 2021 (Mon) 20:01:36

3

Hong Jian Zhao

528

PST Converter

Last Post : September 16, 2021 (Thu) 14:33:15

0

garkajorku

527

ost para pst

Last Post : September 15, 2021 (Wed) 20:41:42

0

garkajorku

526

ost to pst

Last Post : September 14, 2021 (Tue) 14:32:01

0

garkajorku

525

PST converter

Last Post : September 13, 2021 (Mon) 20:19:32

0

garkajorku

523

error message ( ***wrn in readin...illegal input: check the following or preceding cards c--- L-point Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL)

Last Post : September 03, 2021 (Fri) 18:06:46

1

Yauheni Talochka

514

How to set Spin up and down in Akai KKR

Last Post : February 09, 2021 (Tue) 17:51:58

0

Changhoon Lee

512

Total DOS (TDOS) and Parial DOS (PDOS)

Last Post : February 15, 2021 (Mon) 21:40:53

3

kristofer

509

How to calculate AFM state (not DLM states)

Last Post : December 29, 2020 (Tue) 23:11:25

2

kristofer

508

Volume Optimization of PbZrO3

Last Post : December 02, 2020 (Wed) 14:12:29

0

Renu

506

fmg can not create a potential data.

Last Post : November 28, 2020 (Sat) 22:50:16

1

Shuotong Zong

504

(Fe8)(Fe14Ni2)O32 lmd calculation

Last Post : November 11, 2020 (Wed) 12:05:16

1

Wakana Ina

497

error message (***wrn in cstate...no convergence for nclr= 26 j= 5)

Last Post : August 28, 2020 (Fri) 17:48:10

0

Changhoon Lee

496

Input for complex crystal structure Gd2Co7

Last Post : August 20, 2020 (Thu) 20:47:44

0

Qais Ali

494

spc plotting

Last Post : August 15, 2020 (Sat) 23:27:09

1

Sushil Auluck

493

How to calculate Gilbert damping constant?

Last Post : June 25, 2020 (Thu) 21:42:32

0

Shen Chenhai

492

Lattice Relaxation

Last Post : May 08, 2020 (Fri) 04:33:10

0

Brahim

490

No convergence during DOS calculation

Last Post : February 20, 2020 (Thu) 21:15:48

0

Huang

489

x band

Last Post : October 21, 2020 (Wed) 05:22:52

1

el aabbassi el habib

483

display partial DOS in output file

Last Post : October 07, 2019 (Mon) 17:49:17

1

Taewon Jin

482

EDB Recovery Tool

Last Post : March 15, 2024 (Fri) 21:54:34

4

sanplusis

478

Problem in band structure calculation: blank *_up.spc and *_dn.spc fine

Last Post : May 23, 2019 (Thu) 13:24:16

0

Yun-Peng Wang

476

Is this blog dead?

Last Post : March 14, 2019 (Thu) 01:54:44

0

Mohammad Saidur Rahman