Using VASP

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Continuing Jobs which haven't completed an ionic step?

Last post by alex « Mon Sep 06, 2021 8:23 am
Replies: 2
by phyc.vasp » Fri Sep 03, 2021 11:56 pm

2 Replies

3717 Views

Last post by alex
Mon Sep 06, 2021 8:23 am
Can the GW run be restart from where it stops?

Last post by SKM « Sat Sep 04, 2021 11:43 am
Replies: 4
by SKM » Sun Aug 15, 2021 8:48 am

4 Replies

5709 Views

Last post by SKM
Sat Sep 04, 2021 11:43 am
VASP AIMD Calculations

Last post by zongtan_fang1 « Fri Sep 03, 2021 8:07 pm
Replies: 2
by zongtan_fang1 » Thu Sep 02, 2021 9:14 pm

2 Replies

4562 Views

Last post by zongtan_fang1
Fri Sep 03, 2021 8:07 pm
Is it possible to continue an unfinished static calculation?

Last post by ferenc_karsai « Sat Aug 28, 2021 4:33 pm
Replies: 1
by rmz4ed » Thu Aug 26, 2021 3:50 pm

1 Replies

3228 Views

Last post by ferenc_karsai
Sat Aug 28, 2021 4:33 pm
Is it possible to use the ωB97X-D functional in VASP?

Last post by ferenc_karsai « Sat Aug 28, 2021 3:59 pm
Replies: 1
by elise.p.kenny » Thu Aug 26, 2021 1:32 am

1 Replies

3229 Views

Last post by ferenc_karsai
Sat Aug 28, 2021 3:59 pm
parameters in VASP OUTCAR are different from INCAR

Last post by ferenc_karsai « Tue Aug 24, 2021 12:16 pm
Replies: 1
by jingyun_ye4 » Mon Aug 23, 2021 7:07 pm

1 Replies

3196 Views

Last post by ferenc_karsai
Tue Aug 24, 2021 12:16 pm
Is it possible to use SCAN+D3 in VASP?

Last post by ferenc_karsai « Tue Aug 24, 2021 12:14 pm
Replies: 1
by john_low1 » Mon Aug 23, 2021 5:52 pm

1 Replies

3467 Views

Last post by ferenc_karsai
Tue Aug 24, 2021 12:14 pm
Hamiltonian Solver in VASP

Last post by marie-therese.huebsch « Tue Aug 24, 2021 12:47 am
Replies: 3
by KieranSong » Mon Aug 23, 2021 3:55 am

3 Replies

4521 Views

Last post by marie-therese.huebsch
Tue Aug 24, 2021 12:47 am
memory for low scaling ACFDT

Last post by merzuk.kaltak « Mon Aug 23, 2021 9:18 am
Replies: 3
by kdoblhoff » Fri Aug 06, 2021 3:44 pm

3 Replies

4310 Views

Last post by merzuk.kaltak
Mon Aug 23, 2021 9:18 am
What does 'Absolute Chemical Shift tensors' mean in NMR calculation

Last post by marie-therese.huebsch « Mon Aug 23, 2021 6:04 am
Replies: 1
by xhbao502 » Tue Nov 24, 2020 1:01 pm

1 Replies

3681 Views

Last post by marie-therese.huebsch
Mon Aug 23, 2021 6:04 am
Clarification on Si_GW example

Last post by marie-therese.huebsch « Mon Aug 23, 2021 4:05 am
Replies: 1
by SKM » Sun Aug 15, 2021 4:25 am

1 Replies

3377 Views

Last post by marie-therese.huebsch
Mon Aug 23, 2021 4:05 am
Developer version of VASP

Last post by marie-therese.huebsch « Wed Aug 18, 2021 5:12 am
Replies: 1
by tpaudel01 » Fri Aug 13, 2021 9:24 pm

1 Replies

3099 Views

Last post by marie-therese.huebsch
Wed Aug 18, 2021 5:12 am
Use of LDIPOL

Last post by michelsassi « Wed Aug 18, 2021 5:01 am
Replies: 2
by michelsassi » Fri Aug 13, 2021 12:25 am

2 Replies

4130 Views

Last post by michelsassi
Wed Aug 18, 2021 5:01 am
spin-polarized calculation - PARCHR file

Last post by marie-therese.huebsch « Wed Aug 18, 2021 4:48 am
Replies: 1
by marta_gayska » Sat Aug 14, 2021 3:07 pm

1 Replies

3240 Views

Last post by marie-therese.huebsch
Wed Aug 18, 2021 4:48 am
Does "alpha+bet" come from this paper?

Last post by marie-therese.huebsch « Wed Aug 18, 2021 4:29 am
Replies: 1
by craig_plaisance1 » Thu Aug 12, 2021 10:24 pm

1 Replies

3424 Views

Last post by marie-therese.huebsch
Wed Aug 18, 2021 4:29 am
How to adjust the frequency range of dielectric function?

Last post by marie-therese.huebsch « Thu Aug 12, 2021 4:42 am
Replies: 1
by jun-jie_shi1 » Wed Aug 11, 2021 2:16 am

1 Replies

3232 Views

Last post by marie-therese.huebsch
Thu Aug 12, 2021 4:42 am
Phonon dispersion from Virtual Crystal Approximation (VCA) Density Functional Theory (DFPT) job

Last post by likith « Tue Aug 10, 2021 5:22 pm
Replies: 3
by likith » Fri Jul 30, 2021 1:45 pm

3 Replies

4500 Views

Last post by likith
Tue Aug 10, 2021 5:22 pm
Memory requirement for GW step2

Last post by marie-therese.huebsch « Mon Aug 09, 2021 11:47 pm
Replies: 2
by chandra_sarap1 » Mon Jul 26, 2021 4:41 pm

2 Replies

3816 Views

Last post by marie-therese.huebsch
Mon Aug 09, 2021 11:47 pm
Discrepancy between Minimum Energy and 0 Pressure of Amorphous Simulations

Last post by marie-therese.huebsch « Mon Aug 09, 2021 11:08 pm
Replies: 1
by ccrook » Mon Aug 09, 2021 10:28 pm

1 Replies

3126 Views

Last post by marie-therese.huebsch
Mon Aug 09, 2021 11:08 pm
How to know the valence electron configuration?

Last post by marie-therese.huebsch « Mon Aug 09, 2021 2:56 am
Replies: 6
by linglin » Wed Jul 16, 2008 8:05 am

6 Replies

14743 Views

Last post by marie-therese.huebsch
Mon Aug 09, 2021 2:56 am

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