Using VASP

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band structure

Last post by henrique_miranda « Mon Nov 15, 2021 12:01 pm
Replies: 1
by celina_sikorska » Sun Nov 14, 2021 11:57 pm

1 Replies

5741 Views

Last post by henrique_miranda
Mon Nov 15, 2021 12:01 pm
Rerunning GW scf (Can vasp reads WFULL00XX.tmp)

Last post by martin.schlipf « Mon Nov 15, 2021 7:03 am
Replies: 1
by muhammadsufyan_razman » Thu Nov 11, 2021 10:21 am

1 Replies

3621 Views

Last post by martin.schlipf
Mon Nov 15, 2021 7:03 am
Trouble with hybrid functional calculations using Ferwe=-2

Last post by martin.schlipf « Wed Nov 10, 2021 8:34 am
Replies: 5
by Kousei » Wed Oct 27, 2021 8:28 am

5 Replies

7213 Views

Last post by martin.schlipf
Wed Nov 10, 2021 8:34 am
A puzzle for the 2nd ionic step

Last post by martin.schlipf « Fri Nov 05, 2021 7:12 am
Replies: 1
by yhan_vasp » Fri Nov 05, 2021 2:47 am

1 Replies

3803 Views

Last post by martin.schlipf
Fri Nov 05, 2021 7:12 am
minimum-image convention for collective variables in metadynamics

Last post by martin.schlipf « Thu Nov 04, 2021 8:50 am
Replies: 1
by lingsanliang » Wed Nov 03, 2021 5:40 pm

1 Replies

3816 Views

Last post by martin.schlipf
Thu Nov 04, 2021 8:50 am
Direction of magnetic moment (SAXIS, LNONCOLLINEAR)

Last post by martin.schlipf « Thu Nov 04, 2021 8:22 am
Replies: 3
by kyoyu_kondo » Mon Nov 01, 2021 8:25 am

3 Replies

5937 Views

Last post by martin.schlipf
Thu Nov 04, 2021 8:22 am
Diffrent edition of vasp will create diffrent vasprun.xml

Last post by martin.schlipf « Wed Nov 03, 2021 7:53 am
Replies: 6
by stshcs » Tue Oct 26, 2021 3:13 am

6 Replies

8860 Views

Last post by martin.schlipf
Wed Nov 03, 2021 7:53 am
Is the Force in Spin spirals calculation correct?

Last post by martin.schlipf « Tue Nov 02, 2021 2:21 pm
Replies: 3
by wdovew » Mon Nov 01, 2021 3:36 am

3 Replies

5456 Views

Last post by martin.schlipf
Tue Nov 02, 2021 2:21 pm
Regarding POMASS value in POTCAR file of Radon element

Last post by martin.schlipf « Wed Oct 27, 2021 9:15 pm
Replies: 1
by seba_varghese » Wed Oct 27, 2021 6:51 am

1 Replies

4172 Views

Last post by martin.schlipf
Wed Oct 27, 2021 9:15 pm
Interpretation of reduced KPOINT Set

Last post by rubel « Mon Oct 25, 2021 2:13 pm
Replies: 10
by Vasp1a » Thu Sep 30, 2021 1:49 pm

10 Replies

12261 Views

Last post by rubel
Mon Oct 25, 2021 2:13 pm
Downloading POTCAR files

Last post by martin.schlipf « Fri Oct 22, 2021 6:24 am
Replies: 1
by fsimeski » Fri Oct 22, 2021 12:11 am

1 Replies

6268 Views

Last post by martin.schlipf
Fri Oct 22, 2021 6:24 am
vasp_ncl for magnetic anisotropy calculation

Last post by venkatarohit_punyapu « Thu Oct 21, 2021 3:49 pm
Replies: 2
by venkatarohit_punyapu » Thu Oct 07, 2021 12:37 am

2 Replies

4787 Views

Last post by venkatarohit_punyapu
Thu Oct 21, 2021 3:49 pm
Temperature keeping increasing in long MD run (100 ps +)

Last post by SKM « Thu Oct 21, 2021 8:48 am
Replies: 6
by abalone » Fri Apr 08, 2011 9:36 pm

6 Replies

10550 Views

Last post by SKM
Thu Oct 21, 2021 8:48 am
Doping system modeling: virtual crystal approximation (VCA) vs supercell method.

Last post by martin.schlipf « Wed Oct 20, 2021 7:18 pm
Replies: 1
by hszhao.cn@gmail.com » Tue Oct 19, 2021 11:58 am

1 Replies

6332 Views

Last post by martin.schlipf
Wed Oct 20, 2021 7:18 pm
Effect of LAMBDA on the total energy

Last post by ferenc_karsai « Wed Oct 13, 2021 8:37 am
Replies: 2
by elise.p.kenny » Wed Sep 15, 2021 11:58 pm

2 Replies

5241 Views

Last post by ferenc_karsai
Wed Oct 13, 2021 8:37 am
Band Structure Calculation with HSE06 Functional

Last post by KieranSong « Wed Oct 13, 2021 1:56 am
Replies: 7
by KieranSong » Tue Sep 21, 2021 8:12 am

7 Replies

11359 Views

Last post by KieranSong
Wed Oct 13, 2021 1:56 am
Phonon restart option

Last post by andreas.singraber « Mon Oct 11, 2021 10:29 am
Replies: 2
by valln59 » Tue Oct 05, 2021 11:08 pm

2 Replies

4281 Views

Last post by andreas.singraber
Mon Oct 11, 2021 10:29 am
Slow convergence with hybrid functional

Last post by marie-therese.huebsch « Wed Oct 06, 2021 10:30 am
Replies: 1
by KieranSong » Tue Oct 05, 2021 5:14 am

1 Replies

5003 Views

Last post by marie-therese.huebsch
Wed Oct 06, 2021 10:30 am
Issue with electronic convergence of Yb3+ cation (4f valence electrons)

Last post by ErnekMB « Tue Oct 05, 2021 9:27 pm
Replies: 4
by mateusz_domanski » Tue Sep 21, 2021 4:30 pm

4 Replies

6729 Views

Last post by ErnekMB
Tue Oct 05, 2021 9:27 pm
Spin-orbit coupling in VASP.4.6.31

Last post by andreas.singraber « Thu Sep 30, 2021 9:17 am
Replies: 3
by vasp » Mon Feb 26, 2007 10:04 am

3 Replies

5868 Views

Last post by andreas.singraber
Thu Sep 30, 2021 9:17 am

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