Using VASP

Moderators: Global Moderator, Moderator

New Topic

4302 topics

Page 4 of 216
- Jump to page:
Previous
1
2
3
4
5
6
…
216
Next

Topics

Replies

Views

Last post

fermi energy in band structure calculation

Last post by henrique_miranda « Mon Jul 19, 2021 2:27 pm
Replies: 3
by decai » Mon Dec 31, 2007 2:07 am

3 Replies

5588 Views

Last post by henrique_miranda
Mon Jul 19, 2021 2:27 pm
DOS in non-collinear calculations using p4vasp

Last post by henrique_miranda « Thu Jul 15, 2021 6:38 am
Replies: 1
by purbajyoti_bhagowati1 » Mon Jul 12, 2021 3:02 pm

1 Replies

64 Views

Last post by henrique_miranda
Thu Jul 15, 2021 6:38 am
How to read wavefunction from WAVRCAR using python directly

Last post by Physics_cat « Fri Jul 09, 2021 2:55 am
Replies: 5
by Physics_cat » Tue Jun 29, 2021 6:41 am

5 Replies

345 Views

Last post by Physics_cat
Fri Jul 09, 2021 2:55 am
Wiki error: INCAR flag "NDAV" described in Wiki not anymore functional (now: "NRMM")

Last post by henrique_miranda « Thu Jul 08, 2021 9:18 am
Replies: 1
by juergen.furthmueller » Mon Jul 05, 2021 11:04 am

1 Replies

110 Views

Last post by henrique_miranda
Thu Jul 08, 2021 9:18 am
Weird energy jump in relaxation

Last post by MBaeker « Wed Jul 07, 2021 1:10 pm
Replies: 6
by MBaeker » Tue Jul 06, 2021 8:31 am

6 Replies

194 Views

Last post by MBaeker
Wed Jul 07, 2021 1:10 pm
The symmetry of dielectric tensor in XAS computation using vasp.6.2.1

Last post by ferenc_karsai « Wed Jul 07, 2021 5:46 am
Replies: 5
by zhaoru_sun1 » Tue Jun 08, 2021 5:23 pm

5 Replies

298 Views

Last post by ferenc_karsai
Wed Jul 07, 2021 5:46 am
Error EDDDAV: Call to ZHEGV failed. Returncode = 234 2 240

Last post by henrique_miranda « Tue Jul 06, 2021 4:33 pm
Replies: 1
by sohamr » Tue Jul 06, 2021 12:09 pm

1 Replies

91 Views

Last post by henrique_miranda
Tue Jul 06, 2021 4:33 pm
LOPTICS with HSE job teminated

Last post by henrique_miranda « Mon Jul 05, 2021 6:58 am
Replies: 1
by neha_kapila » Mon Jun 28, 2021 7:56 am

1 Replies

133 Views

Last post by henrique_miranda
Mon Jul 05, 2021 6:58 am
Segmentation Fault

Last post by henrique_miranda « Mon Jul 05, 2021 6:21 am
Replies: 1
by Fermi1976 » Sun Jul 04, 2021 9:07 am

1 Replies

99 Views

Last post by henrique_miranda
Mon Jul 05, 2021 6:21 am
KGAMMA=.False. not working correctly?

Last post by martin.schlipf « Wed Jun 30, 2021 6:47 am
Replies: 5
by MBaeker » Fri Jun 25, 2021 10:58 am

5 Replies

285 Views

Last post by martin.schlipf
Wed Jun 30, 2021 6:47 am
Noncollinear magnetism & RPA

Last post by rolando_saniz1 « Mon Jun 28, 2021 4:02 pm
Replies: 2
by rolando_saniz1 » Thu Jun 24, 2021 12:02 pm

2 Replies

174 Views

Last post by rolando_saniz1
Mon Jun 28, 2021 4:02 pm
The question about the chose of POTCAR

Last post by martin.schlipf « Mon Jun 28, 2021 12:44 pm
Replies: 1
by jun_liu » Sun Jun 27, 2021 6:14 am

1 Replies

168 Views

Last post by martin.schlipf
Mon Jun 28, 2021 12:44 pm
quantum dot

Last post by martin.schlipf « Thu Jun 24, 2021 1:32 pm
Replies: 6
by nikila » Wed Nov 09, 2011 2:05 pm

6 Replies

1107 Views

Last post by martin.schlipf
Thu Jun 24, 2021 1:32 pm
ALGO=scGW or ALGO=QPGW with VASP 6.x.x

Last post by martin.schlipf « Mon Jun 21, 2021 9:34 am
Replies: 1
by ivr900 » Thu Jun 17, 2021 6:26 am

1 Replies

166 Views

Last post by martin.schlipf
Mon Jun 21, 2021 9:34 am
Coulomb Truncation for GW Calculations

Last post by martin.schlipf « Mon Jun 21, 2021 9:33 am
Replies: 2
by dscullion12 » Wed Apr 11, 2018 6:07 pm

2 Replies

660 Views

Last post by martin.schlipf
Mon Jun 21, 2021 9:33 am
How to resume an interrupted AIMD

Last post by martin.schlipf « Mon Jun 21, 2021 7:39 am
Replies: 1
by jun_liu » Fri Jun 18, 2021 2:54 pm

1 Replies

103 Views

Last post by martin.schlipf
Mon Jun 21, 2021 7:39 am
Optical properties using hybrid functional with SOC approach

Last post by martin.schlipf « Thu Jun 17, 2021 1:41 pm
Replies: 1
by sdeepmanav » Thu Jun 17, 2021 10:03 am

1 Replies

163 Views

Last post by martin.schlipf
Thu Jun 17, 2021 1:41 pm
Adding charge to specific element

Last post by martin.schlipf « Thu Jun 17, 2021 8:13 am
Replies: 3
by nimali_rathnayake » Wed Jun 16, 2021 2:32 am

3 Replies

206 Views

Last post by martin.schlipf
Thu Jun 17, 2021 8:13 am
Using VASP 6.2 OpenACC GPU port

Last post by mmarsman « Tue Jun 15, 2021 9:40 am
Replies: 10
by david_keller » Fri Jan 29, 2021 8:04 pm

10 Replies

1218 Views

Last post by mmarsman
Tue Jun 15, 2021 9:40 am
reciprocal lattice and k-lattice mismatch

Last post by martin.schlipf « Mon Jun 14, 2021 6:44 am
Replies: 4
by neha_kapila » Tue Apr 27, 2021 11:23 am

4 Replies

401 Views

Last post by martin.schlipf
Mon Jun 14, 2021 6:44 am

New Topic

4302 topics

Page 4 of 216
- Jump to page:
Previous
1
2
3
4
5
6
…
216
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