Using VASP

Moderators: Global Moderator, Moderator

New Topic

5318 topics

Page 43 of 266
- Jump to page:
Previous
1
…
41
42
43
44
45
…
266
Next

Topics

Replies

Views

Last post

17O NMR calculation

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by farahnaz.mlk » Tue Jul 02, 2019 9:28 am

1 Replies

1906 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
Spin spiral calculation and periodic boundary condition

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by wenteli » Wed Jun 26, 2019 11:14 pm

1 Replies

2003 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
SCAN (usage) and self-consistency

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by chrstphr » Sun Jun 09, 2019 10:40 am

1 Replies

2561 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
How to calculate radial part of the wave function?

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by techlee » Fri Jun 07, 2019 1:50 am

1 Replies

1670 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
Structural deformation under electric field

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by ipark008 » Tue Jun 04, 2019 10:21 pm

1 Replies

1824 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
Why am I getting substantially different energy values when

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by gcates » Tue May 28, 2019 6:26 pm

1 Replies

1967 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
AECCAR0 has NaN value during charge calculation

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by mdhossain » Sat May 25, 2019 10:12 pm

1 Replies

2434 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
Convergence criteria "EDIFFG" does not fulfill during relax

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by mdhossain » Thu May 23, 2019 12:53 am

1 Replies

2079 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
How to convert unit used in vasp to SI unit?

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by KurtG » Wed Apr 24, 2019 5:11 am

1 Replies

2116 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Is UNK file for Wannier90 All-electron wave functions?

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by nwan » Sun Mar 31, 2019 1:12 pm

1 Replies

2852 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
PARCHG with LSORBIT=.TRUE., seems not correct

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by cslin » Fri Mar 29, 2019 2:40 am

1 Replies

1813 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
CHG file format of LSORBIT

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by cslin » Fri Mar 29, 2019 2:22 am

1 Replies

1707 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Non-collinear spin calculations with LORBIT 2 or 12

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by uthpala » Tue Mar 26, 2019 5:29 pm

1 Replies

2004 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Wannier90 3.0

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by d.pshenay » Thu Mar 07, 2019 8:48 am

1 Replies

2180 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Multiple Walkers in Metadynamics

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by yogvjosh » Mon Mar 04, 2019 6:04 pm

1 Replies

1921 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
Default atomic masses and their rationale

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by agtonner » Fri Feb 22, 2019 3:55 pm

1 Replies

1703 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
Phase in PROCAR (LORBIT=2 or 12~14) with SOC

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 2
by leedairo2 » Sun Nov 01, 2020 8:23 am

2 Replies

2285 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
augmentation charge CQIJ

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by xiaoming_wang » Mon Sep 07, 2020 9:06 am

1 Replies

1907 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
orbital magnetization

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by xiaoming_wang » Sat Jul 04, 2020 4:12 am

1 Replies

2736 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
how to keep the spin states during the relaxation

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by zongtan_fang1 » Fri Jun 05, 2020 4:21 pm

1 Replies

2420 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm

New Topic

5318 topics

Page 43 of 266
- Jump to page:
Previous
1
…
41
42
43
44
45
…
266
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum