Using VASP

Moderators: Global Moderator, Moderator

New Topic

5575 topics

Page 127 of 279
- Jump to page:
Previous
1
…
125
126
127
128
129
…
279
Next

Topics

Replies

Views

Last post

POTCAR for H and He

Last post by aohara « Mon Mar 14, 2022 5:21 pm
Replies: 2
by gu301purdue » Tue Mar 08, 2022 6:20 pm

2 Replies

5087 Views

Last post by aohara
Mon Mar 14, 2022 5:21 pm
NKRED and bandstructure

Last post by IBRAHIM « Mon Mar 14, 2022 2:19 pm
Replies: 9
by IBRAHIM » Mon Mar 14, 2022 3:40 am

9 Replies

8690 Views

Last post by IBRAHIM
Mon Mar 14, 2022 2:19 pm
Energy inconsistency in the on-the-fly machine learning process

Last post by ferenc_karsai « Mon Mar 14, 2022 7:24 am
Replies: 8
by Yicheng » Fri Mar 04, 2022 8:45 am

8 Replies

9205 Views

Last post by ferenc_karsai
Mon Mar 14, 2022 7:24 am
Not running for IPA and RPA test OUTCAR, no process for OSZICAR

Last post by qiqi025 « Thu Mar 10, 2022 2:23 pm
Replies: 4
by qiqi025 » Mon Mar 07, 2022 3:52 pm

4 Replies

5771 Views

Last post by qiqi025
Thu Mar 10, 2022 2:23 pm
Run vasp parallelly but call wannier90 library serially from within one vasp calculation.

Last post by marie-therese.huebsch « Tue Mar 08, 2022 6:48 am
Replies: 3
by hszhao.cn@gmail.com » Sun Mar 06, 2022 8:36 am

3 Replies

5724 Views

Last post by marie-therese.huebsch
Tue Mar 08, 2022 6:48 am
LSCDM method and w90?

Last post by ferenc_karsai « Wed Mar 02, 2022 6:50 am
Replies: 2
by michaela._fechner » Tue Mar 01, 2022 8:28 am

2 Replies

4483 Views

Last post by ferenc_karsai
Wed Mar 02, 2022 6:50 am
Cauchy stress tensor calculation

Last post by ferenc_karsai « Tue Mar 01, 2022 7:09 am
Replies: 3
by musanna_galib » Fri Feb 25, 2022 8:02 pm

3 Replies

5329 Views

Last post by ferenc_karsai
Tue Mar 01, 2022 7:09 am
GW band structure

Last post by wwlphys « Mon Feb 28, 2022 10:32 am
Replies: 4
by wwlphys » Sun Feb 13, 2022 6:25 am

4 Replies

6328 Views

Last post by wwlphys
Mon Feb 28, 2022 10:32 am
how to manually generate the ML_AB file

Last post by ferenc_karsai « Fri Feb 25, 2022 8:16 am
Replies: 5
by Qiuju Zhang » Mon Feb 21, 2022 4:12 am

5 Replies

7392 Views

Last post by ferenc_karsai
Fri Feb 25, 2022 8:16 am
Problems with ALGO = CHI step

Last post by ferenc_karsai « Wed Feb 23, 2022 10:47 am
Replies: 1
by nicholas_dimakis1 » Mon Feb 07, 2022 2:30 am

1 Replies

3711 Views

Last post by ferenc_karsai
Wed Feb 23, 2022 10:47 am
Large number of bands using OpenACC GPU port

Last post by Dankomaister « Wed Feb 23, 2022 6:31 am
Replies: 14
by jbackman » Fri Jan 28, 2022 12:14 pm

14 Replies

19520 Views

Last post by Dankomaister
Wed Feb 23, 2022 6:31 am
Variation in Magnetic Moments depending on Supercell Size

Last post by marie-therese.huebsch « Tue Feb 22, 2022 12:05 pm
Replies: 2
by mdh1992 » Mon Feb 21, 2022 1:13 pm

2 Replies

4414 Views

Last post by marie-therese.huebsch
Tue Feb 22, 2022 12:05 pm
bader charge error

Last post by ferenc_karsai « Thu Feb 17, 2022 10:27 am
Replies: 7
by omerelmutasim_elfaki » Mon Feb 14, 2022 1:18 pm

7 Replies

6797 Views

Last post by ferenc_karsai
Thu Feb 17, 2022 10:27 am
Quick question on selective dynamics

Last post by ferenc_karsai « Wed Feb 16, 2022 7:44 am
Replies: 3
by richard_kang » Mon Feb 14, 2022 1:28 am

3 Replies

4739 Views

Last post by ferenc_karsai
Wed Feb 16, 2022 7:44 am
EDIFFG convergence problem

Last post by ferenc_karsai « Tue Feb 15, 2022 9:27 am
Replies: 3
by musanna_galib » Sat Feb 12, 2022 6:16 pm

3 Replies

4802 Views

Last post by ferenc_karsai
Tue Feb 15, 2022 9:27 am
Dielectric properties

Last post by IBRAHIM « Tue Feb 15, 2022 2:31 am
Replies: 6
by IBRAHIM » Mon Feb 07, 2022 1:51 am

6 Replies

7448 Views

Last post by IBRAHIM
Tue Feb 15, 2022 2:31 am
Total electronic energy

Last post by Robert « Thu Feb 10, 2022 3:22 pm
Replies: 4
by Robert » Wed Jan 26, 2022 9:44 am

4 Replies

5741 Views

Last post by Robert
Thu Feb 10, 2022 3:22 pm
Deviation of Equation of State from external pressure

Last post by ferenc_karsai « Wed Feb 09, 2022 3:17 pm
Replies: 1
by gavin_woolman » Tue Feb 08, 2022 9:29 pm

1 Replies

4022 Views

Last post by ferenc_karsai
Wed Feb 09, 2022 3:17 pm
Why LWAVE not writing WAVECAR file

Last post by SKM « Tue Feb 08, 2022 2:30 am
Replies: 4
by SKM » Tue Feb 01, 2022 12:39 pm

4 Replies

6875 Views

Last post by SKM
Tue Feb 08, 2022 2:30 am
spin polarized interband and intraband permittivity

Last post by alexey.tal « Mon Feb 07, 2022 10:51 am
Replies: 3
by chandan_kumarvishwakarma1 » Sat Jan 29, 2022 11:00 am

3 Replies

5355 Views

Last post by alexey.tal
Mon Feb 07, 2022 10:51 am

New Topic

5575 topics

Page 127 of 279
- Jump to page:
Previous
1
…
125
126
127
128
129
…
279
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