Using VASP

Moderators: Global Moderator, Moderator

New Topic

5329 topics

Page 122 of 267
- Jump to page:
Previous
1
…
120
121
122
123
124
…
267
Next

Topics

Replies

Views

Last post

Calculating the energy for an atom

Last post by alex « Tue Jun 08, 2021 7:02 am
Replies: 3
by zongtan_fang1 » Fri Jun 04, 2021 10:44 pm

3 Replies

4408 Views

Last post by alex
Tue Jun 08, 2021 7:02 am
About artificially increase the SOC strength in VASP

Last post by andreas.singraber « Mon Jun 07, 2021 7:54 am
Replies: 2
by guojun_zhao1 » Tue Feb 23, 2021 4:45 am

2 Replies

3703 Views

Last post by andreas.singraber
Mon Jun 07, 2021 7:54 am
How to use self-consistent potential correction in vasp.6.2

Last post by andreas.singraber « Mon May 31, 2021 7:53 am
Replies: 5
by kenta_chokawa1 » Thu Apr 29, 2021 4:15 am

5 Replies

6910 Views

Last post by andreas.singraber
Mon May 31, 2021 7:53 am
Problem in the ALGO = CHI step.

Last post by henrique_miranda « Fri May 21, 2021 2:29 pm
Replies: 1
by Bikash_Patra » Thu May 13, 2021 11:42 am

1 Replies

3841 Views

Last post by henrique_miranda
Fri May 21, 2021 2:29 pm
Energy jump an converging to false minimum

Last post by MBaeker « Fri May 21, 2021 6:43 am
Replies: 4
by MBaeker » Fri Apr 30, 2021 1:04 pm

4 Replies

4965 Views

Last post by MBaeker
Fri May 21, 2021 6:43 am
Why is energy not constant in an NVE VASP MD simulation?

Last post by ccrook « Thu May 20, 2021 6:23 pm
Replies: 2
by ccrook » Wed May 19, 2021 6:36 pm

2 Replies

3506 Views

Last post by ccrook
Thu May 20, 2021 6:23 pm
Why higher cutoff energy gives higher energy in transition metal oxide system

Last post by zongtan_fang1 « Wed May 19, 2021 2:49 pm
Replies: 6
by zongtan_fang1 » Wed May 12, 2021 4:01 pm

6 Replies

5891 Views

Last post by zongtan_fang1
Wed May 19, 2021 2:49 pm
Calculation stopped before the first SCF step after increasing a system size

Last post by andreas.singraber « Wed May 19, 2021 7:45 am
Replies: 2
by marta_gayska » Mon May 17, 2021 8:54 pm

2 Replies

3163 Views

Last post by andreas.singraber
Wed May 19, 2021 7:45 am
BSE beyond TDA

Last post by kresse_georg « Mon May 17, 2021 12:47 pm
Replies: 1
by xiaoming_wang » Thu May 06, 2021 1:15 pm

1 Replies

3061 Views

Last post by kresse_georg
Mon May 17, 2021 12:47 pm
Phonon calculations with IBRION=8

Last post by SKM « Tue May 11, 2021 4:25 am
Replies: 1
by deepashri » Wed Mar 08, 2017 10:30 am

1 Replies

4451 Views

Last post by SKM
Tue May 11, 2021 4:25 am
NPAR or NCORE setting for NEB

Last post by andreas.singraber « Fri May 07, 2021 12:59 pm
Replies: 1
by hlzhan » Tue May 04, 2021 5:11 am

1 Replies

8467 Views

Last post by andreas.singraber
Fri May 07, 2021 12:59 pm
Metagga MS2 gives positive free energy

Last post by ferenc_karsai « Fri May 07, 2021 12:04 pm
Replies: 5
by richard_kang » Wed Apr 28, 2021 6:34 pm

5 Replies

4782 Views

Last post by ferenc_karsai
Fri May 07, 2021 12:04 pm
optical properties using random phase approximation Method

Last post by ferenc_karsai « Thu May 06, 2021 5:52 am
Replies: 3
by abdul_jaleel1 » Sat Apr 24, 2021 7:47 pm

3 Replies

4587 Views

Last post by ferenc_karsai
Thu May 06, 2021 5:52 am
memory consumption in cubic scaling GW

Last post by ferenc_karsai « Tue May 04, 2021 8:00 am
Replies: 4
by xiaoming_wang » Sun Apr 25, 2021 11:03 pm

4 Replies

3983 Views

Last post by ferenc_karsai
Tue May 04, 2021 8:00 am
k-point projection scheme

Last post by ferenc_karsai « Mon May 03, 2021 6:32 am
Replies: 1
by shaldar » Wed Apr 14, 2021 12:26 pm

1 Replies

2831 Views

Last post by ferenc_karsai
Mon May 03, 2021 6:32 am
Recommended value for HFRCUT

Last post by ferenc_karsai « Fri Apr 30, 2021 10:04 am
Replies: 2
by Michael.Sluydts » Mon Apr 19, 2021 7:25 pm

2 Replies

3279 Views

Last post by ferenc_karsai
Fri Apr 30, 2021 10:04 am
BSE on hybrid k mesh

Last post by ferenc_karsai « Tue Apr 27, 2021 8:18 am
Replies: 10
by xiaoming_wang » Tue Apr 06, 2021 1:09 am

10 Replies

6797 Views

Last post by ferenc_karsai
Tue Apr 27, 2021 8:18 am
Vasp energy for core level binding energy calculation

Last post by sawantk « Fri Apr 23, 2021 5:16 pm
Replies: 4
by sawantk » Tue Apr 13, 2021 3:09 am

4 Replies

5483 Views

Last post by sawantk
Fri Apr 23, 2021 5:16 pm
Why VASP gives no straight vacuum line for the surface local potential?

Last post by pbsorokin « Tue Apr 20, 2021 6:55 am
Replies: 2
by pbsorokin » Thu Apr 08, 2021 2:46 pm

2 Replies

3969 Views

Last post by pbsorokin
Tue Apr 20, 2021 6:55 am
Lindhard response function

Last post by ferenc_karsai « Mon Apr 19, 2021 6:34 am
Replies: 3
by oleg_feia » Mon Apr 05, 2021 7:53 pm

3 Replies

4208 Views

Last post by ferenc_karsai
Mon Apr 19, 2021 6:34 am

New Topic

5329 topics

Page 122 of 267
- Jump to page:
Previous
1
…
120
121
122
123
124
…
267
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