Using VASP

Moderators: Global Moderator, Moderator

New Topic

5341 topics

Page 105 of 268
- Jump to page:
Previous
1
…
103
104
105
106
107
…
268
Next

Topics

Replies

Views

Last post

Self-consistency for QPGW or GWR

Last post by henrique_miranda « Wed Nov 09, 2022 8:11 am
Replies: 1
by maituoy » Mon Nov 07, 2022 6:59 pm

1 Replies

1714 Views

Last post by henrique_miranda
Wed Nov 09, 2022 8:11 am
How to give initial velcoity in MD calculation

Last post by alok_shukla1 « Wed Nov 09, 2022 1:54 am
Replies: 6
by alok_shukla1 » Mon Oct 03, 2022 10:59 am

6 Replies

4082 Views

Last post by alok_shukla1
Wed Nov 09, 2022 1:54 am
ML_REG format

Last post by ferenc_karsai « Mon Nov 07, 2022 10:34 am
Replies: 5
by duccoi » Fri Oct 21, 2022 7:21 am

5 Replies

3255 Views

Last post by ferenc_karsai
Mon Nov 07, 2022 10:34 am
LAPACK: Routine ZPOTRF failed! 1 1 1

Last post by jonathan_lahnsteiner2 « Mon Nov 07, 2022 8:58 am
Replies: 3
by maria_dresser » Wed Nov 02, 2022 1:43 pm

3 Replies

4796 Views

Last post by jonathan_lahnsteiner2
Mon Nov 07, 2022 8:58 am
Converse approach for the calculation of magnetic moments

Last post by jonathan_lahnsteiner2 « Thu Nov 03, 2022 11:15 am
Replies: 3
by leonardo » Fri Oct 28, 2022 2:22 pm

3 Replies

2336 Views

Last post by jonathan_lahnsteiner2
Thu Nov 03, 2022 11:15 am
Machine learning only performs two learning steps for Ag bulk

Last post by jonathan_lahnsteiner2 « Wed Nov 02, 2022 11:11 am
Replies: 1
by ritu_tomar » Wed Nov 02, 2022 10:20 am

1 Replies

1740 Views

Last post by jonathan_lahnsteiner2
Wed Nov 02, 2022 11:11 am
Is there any possibility to use py4vasp in windows?

Last post by jonathan_lahnsteiner2 « Wed Nov 02, 2022 8:42 am
Replies: 1
by manoj_wijesingha » Tue Nov 01, 2022 3:56 am

1 Replies

1617 Views

Last post by jonathan_lahnsteiner2
Wed Nov 02, 2022 8:42 am
How can I extract data from the output files of VASP-6.3 (vasprun.xml)?

Last post by jonathan_lahnsteiner2 « Wed Nov 02, 2022 8:38 am
Replies: 1
by manoj_wijesingha » Tue Nov 01, 2022 3:52 am

1 Replies

2479 Views

Last post by jonathan_lahnsteiner2
Wed Nov 02, 2022 8:38 am
Issue with energy differences in charged unit cell

Last post by jonathan_lahnsteiner2 « Wed Nov 02, 2022 8:32 am
Replies: 1
by alexandra_mcisaac » Mon Oct 31, 2022 12:36 am

1 Replies

1748 Views

Last post by jonathan_lahnsteiner2
Wed Nov 02, 2022 8:32 am
constr_cell_relax.F - variable cell constrained relax

Last post by yasuhide_mochizuki1 « Tue Nov 01, 2022 6:55 am
Replies: 2
by fiori » Fri Jan 29, 2016 5:44 pm

2 Replies

5216 Views

Last post by yasuhide_mochizuki1
Tue Nov 01, 2022 6:55 am
HSE06 and B3LYP calculations

Last post by fabien_tran1 « Sat Oct 29, 2022 10:19 am
Replies: 3
by armando_derezende » Fri Oct 28, 2022 6:31 pm

3 Replies

2629 Views

Last post by fabien_tran1
Sat Oct 29, 2022 10:19 am
Visualization of spin dynamincs

Last post by jonathan_lahnsteiner2 « Fri Oct 28, 2022 7:49 am
Replies: 1
by scanmat_centre » Thu Oct 27, 2022 11:55 am

1 Replies

1878 Views

Last post by jonathan_lahnsteiner2
Fri Oct 28, 2022 7:49 am
XAS for ZnO

Last post by martin.schlipf « Fri Oct 28, 2022 7:35 am
Replies: 6
by asiyeh_shokri2 » Thu Oct 06, 2022 7:46 am

6 Replies

4970 Views

Last post by martin.schlipf
Fri Oct 28, 2022 7:35 am
whether to keep PSTRESS tag in INCAR after relaxation

Last post by jonathan_lahnsteiner2 « Fri Oct 28, 2022 6:47 am
Replies: 1
by alpinnovianus » Fri Oct 28, 2022 6:18 am

1 Replies

1726 Views

Last post by jonathan_lahnsteiner2
Fri Oct 28, 2022 6:47 am
How can I calculate the Bandstructure and Bandgap by using HSE06 in pymatgen vasp input sets?

Last post by jonathan_lahnsteiner2 « Fri Oct 28, 2022 5:37 am
Replies: 1
by tanvir008 » Tue Oct 25, 2022 10:43 pm

1 Replies

2417 Views

Last post by jonathan_lahnsteiner2
Fri Oct 28, 2022 5:37 am
ISYM=-1 and using IBZKPT and WAVECAR in spin-orbit coupling calculations to save costs.

Last post by fabien_tran1 « Tue Oct 25, 2022 12:16 pm
Replies: 5
by alpinnovianus » Sun Oct 23, 2022 12:19 am

5 Replies

3372 Views

Last post by fabien_tran1
Tue Oct 25, 2022 12:16 pm
VASP6.3 fails for ncl executable (segmentation fault/error from radial.f90)

Last post by fabien_tran1 « Mon Oct 24, 2022 1:02 pm
Replies: 4
by sophie_weber » Mon Oct 17, 2022 12:17 pm

4 Replies

2427 Views

Last post by fabien_tran1
Mon Oct 24, 2022 1:02 pm
Phonon band structure

Last post by karthik_hj « Sat Oct 22, 2022 9:34 am
Replies: 4
by karthik_hj » Fri Oct 14, 2022 9:37 am

4 Replies

2582 Views

Last post by karthik_hj
Sat Oct 22, 2022 9:34 am
Problem using the newly introduced KPOINTS_ OPT file.

Last post by bikash.patra « Wed Oct 19, 2022 3:37 pm
Replies: 10
by bikash.patra » Tue Oct 11, 2022 6:43 pm

10 Replies

6870 Views

Last post by bikash.patra
Wed Oct 19, 2022 3:37 pm
LDOS

Last post by fabien_tran1 « Wed Oct 19, 2022 2:59 pm
Replies: 1
by sarga_pk » Wed Oct 19, 2022 2:33 pm

1 Replies

1449 Views

Last post by fabien_tran1
Wed Oct 19, 2022 2:59 pm

New Topic

5341 topics

Page 105 of 268
- Jump to page:
Previous
1
…
103
104
105
106
107
…
268
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