AkaiKKR(Machikaneyama)

No.

Topic

Res

author

619

FSM in AKAI KKR

Last Post : September 10, 2024 (Tue) 18:49:19

Jerzy Goraus

618

異なる構造同士を比較する際の全エネルギーの扱い方についての質問

Last Post : August 06, 2024 (Tue) 14:18:07

久木田　真治

615

[Re:02] D022構造（bct）における構造最適化に関する質問

Last Post : May 31, 2024 (Fri) 11:47:28

久木田　真治

614

[Re:04] How to calculate magnetic anisotropy energy (MAE)?

Last Post : May 26, 2024 (Sun) 00:28:19

ZIMING

613

[Re:03] How to calculate magnetic anisotropy energy (MAE)?

Last Post : May 24, 2024 (Fri) 17:44:06

Hitoshi GOMI

612

[Re:02] How to calculate magnetic anisotropy energy (MAE)?

Last Post : May 24, 2024 (Fri) 16:14:39

ZIMING

611

[Re:01] How to calculate magnetic anisotropy energy (MAE)?

Last Post : May 23, 2024 (Thu) 01:58:08

Hitoshi GOMI

610

[Re:01] D022構造（bct）における構造最適化に関する質問

Last Post : May 23, 2024 (Thu) 01:44:11

Hitoshi GOMI

609

D022構造（bct）における構造最適化に関する質問

Last Post : May 31, 2024 (Fri) 11:47:28

久木田　真治

608

whene i run GaAs structure in Akai KKR give this and band structure not plot. are you know why give this

Last Post : May 14, 2024 (Tue) 08:50:12

Ayoub RACHYD

607

How to calculate magnetic anisotropy energy (MAE)?

Last Post : May 26, 2024 (Sun) 00:28:19

ZIMING

606

[Re:02] マフィンティン半径に関する質問

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

久木田　真治

605

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

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

Mariem

603

[Re:01] マフィンティン半径に関する質問

Last Post : March 30, 2024 (Sat) 14:06:36

Hitoshi GOMI

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

久木田　真治

601

[Re:04] EDB Recovery Tool

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

adamwilliams

600

compile AkaiKKR on GPU

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

Jerry Lee

599

[Re:01] jkkr not implemented

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

YAOSHUNWEI

598

How to calculate magnetic exchange parameters?

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

YAOSHUNWEI

597

determining lattice constant

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

TISKAR MUSTAPHA

596

[Re:04] How to convert spc into a E-vs.-k ASCII matrix?

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

Jerry Lee

595

[Re:03] How to convert spc into a E-vs.-k ASCII matrix?

Last Post : June 10, 2023 (Sat) 06:11:12

Jerry Lee

594

[Re:02] How to convert spc into a E-vs.-k ASCII matrix?

Last Post : June 01, 2023 (Thu) 23:23:26

Hitoshi GOMI

593

[Re:01] How to convert spc into a E-vs.-k ASCII matrix?

Last Post : June 01, 2023 (Thu) 10:42:20

Jerry Lee

592

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

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

Jerry Lee

591

spc calculation problem

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

XingYu Su

589

jkkr not implemented

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

kristofer

588

[Re:01] f-electrons treatment in AkaiKKR

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

Vitaliy

587

optical properties

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

Amahouch Addelhamid

586

[Re:02] error message (wrn in readin .... illegal input:check the following or preceding cards)

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

Shuotong Zong

585

[Re:03] err in potenv...type not found

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

Hitoshi GOMI

584

[Re:02] err in potenv...type not found

Last Post : September 28, 2022 (Wed) 00:59:40

Jerry Lee

581

[Re:01] error in spc calculation

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

Hitoshi GOMI

580

[Re:01] err in potenv...type not found

Last Post : September 21, 2022 (Wed) 01:44:00

Hitoshi GOMI

579

error in spc calculation

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

Md. Jafrul Sadique Hossain

578

err in potenv...type not found

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

Jerry Lee

577

[Re:01] Installation Akai kkr package

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

root

576

Installation Akai kkr package

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

Md. Jafrul Sadique Hossain

575

[Re:01] Installation Akai kkr package

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

Hitoshi GOMI

574

Installation Akai kkr package

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

Md. Jafrul Sadique Hossain

573

[Re:01] Installation on windows

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

Hitoshi GOMI

572

[Re:01] error message (wrn in readin .... illegal input:check the following or preceding cards)

Last Post : August 30, 2022 (Tue) 12:16:05

Hitoshi GOMI

571

Installation on windows

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

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

Shuotong Zong

569

[Re:01] Problem in go

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

Hitoshi GOMI

568

Problem in go

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

Shuotong Zong

567

[Re:01] kkr-sic and exchange parameters Jij

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

Jerry Lee

565

f-electrons treatment in AkaiKKR

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

ibrahim

564

[Re:02] NdFe11Ti input

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

ibrahim

563

[Re:01] NdFe11Ti input

Last Post : June 06, 2022 (Mon) 11:00:42

Hitoshi GOMI

562

NdFe11Ti input

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

ibrahim

561

kkr-sic and exchange parameters Jij

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

Ze-Li Xu

560

[Re:02] 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

鹿子木　将明

559

[Re:01] 価電子の電荷分布密度の可視化について

Last Post : May 10, 2022 (Tue) 20:56:28

Hitoshi GOMI

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

鹿子木　将明

556

Density of state of SnO2 co-doped

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

Mariem

555

[Re:05] BaO

Last Post : February 22, 2022 (Tue) 19:26:55

Yohanes Pramudya

554

[Re:03] strange relativistic (sra, srals) DOS

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

Hitoshi GOMI

553

[Re:02] strange relativistic (sra, srals) DOS

Last Post : January 05, 2022 (Wed) 18:39:35

Rafal Topolnicki

552

[Re:03] Elastic constants

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

Hitoshi GOMI

551

[Re:02] Elastic constants

Last Post : December 16, 2021 (Thu) 23:24:04

Ivan Lobzenko

550

[Re:01] Elastic constants

Last Post : December 16, 2021 (Thu) 22:10:23

Hitoshi GOMI

549

Elastic constants

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

Ivan Lobzenko

548

[Re:01] strange relativistic (sra, srals) DOS

Last Post : December 15, 2021 (Wed) 23:47:02

Hitoshi GOMI

547

strange relativistic (sra, srals) DOS

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

Rafal Topolnicki

546

[Re:02] Fermi Energy in insulator/semiconductor

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

Yohanes Pramudya

545

[Re:04] 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

新德誠也

544

[Re:03] 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) 13:09:35

Hitoshi GOMI

543

[Re:02] 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) 09:55:24

新德誠也

542

[Re:01] 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 18, 2021 (Thu) 20:16:11

Hitoshi GOMI

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

新德誠也

540

[Re:01] Fermi Energy in insulator/semiconductor

Last Post : October 22, 2021 (Fri) 17:54:17

Hitoshi GOMI

538

Fermi Energy in insulator/semiconductor

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

Yohanes Pramudya

537

[Re:02] About LDA+U or GGA+U calculation

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

Hong Jian Zhao

536

Energy difference too large for two phases

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

Hong Jian Zhao

535

[Re:01] About LDA+U or GGA+U calculation

Last Post : October 12, 2021 (Tue) 22:23:53

Hitoshi GOMI

534

[Re:03] magnetization calculation for LaFeO3

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

Hong Jian Zhao

533

About LDA+U or GGA+U calculation

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

Hong Jian Zhao

531

[Re:02] magnetization calculation for LaFeO3

Last Post : October 11, 2021 (Mon) 17:22:25

Hong Jian Zhao

530

[Re:01] magnetization calculation for LaFeO3

Last Post : October 11, 2021 (Mon) 13:02:19

Hitoshi GOMI

529

magnetization calculation for LaFeO3

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

Hong Jian Zhao

528

PST Converter

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

garkajorku

527

ost para pst

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

garkajorku

526

ost to pst

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

garkajorku

525

PST converter

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

garkajorku

524

[Re:01] 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

Hitoshi GOMI

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

Yauheni Talochka

522

[Re:05] EDB Recovery Tool

Last Post : August 30, 2021 (Mon) 20:13:44

maddinson

519

[Re:02] EDB Recovery Tool

Last Post : April 01, 2021 (Thu) 21:10:36

vigema

518

[Re:01] EDB Recovery Tool

Last Post : March 25, 2021 (Thu) 19:19:49

garkajorku

517

[Re:03] Total DOS (TDOS) and Parial DOS (PDOS)

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

root

516

[Re:02] Total DOS (TDOS) and Parial DOS (PDOS)

Last Post : February 15, 2021 (Mon) 18:11:24

kristofer

514

How to set Spin up and down in Akai KKR

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

Changhoon Lee

513

[Re:01] Total DOS (TDOS) and Parial DOS (PDOS)

Last Post : February 06, 2021 (Sat) 09:46:51

root

512

Total DOS (TDOS) and Parial DOS (PDOS)

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

kristofer

511

[Re:02] How to calculate AFM state (not DLM states)

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

kristofer

510

[Re:01] How to calculate AFM state (not DLM states)

Last Post : December 28, 2020 (Mon) 14:06:50

root

509

How to calculate AFM state (not DLM states)

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

kristofer

508

Volume Optimization of PbZrO3

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

Renu

507

[Re:01] fmg can not create a potential data.

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

Hitoshi GOMI

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