Using VASP

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phonon & DOS

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by cindy » Thu Nov 12, 2009 3:17 am

1 Replies

2337 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
Calculate the DOS with B3LYP ?

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by VASP001 » Wed Nov 11, 2009 4:36 pm

1 Replies

2527 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
force in NEB calculation

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by xianfeng » Wed Nov 11, 2009 8:46 am

1 Replies

2489 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
kpoint grid commensurate with lattice

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by tholme » Tue Nov 10, 2009 11:35 pm

1 Replies

2900 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
question about MD

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by ouuing » Tue Nov 10, 2009 2:51 pm

1 Replies

2420 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
MP2 calculations

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by pepsi » Mon Nov 02, 2009 6:20 pm

1 Replies

2886 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
dipoles

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by willow » Mon Nov 02, 2009 4:15 pm

1 Replies

2393 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
Some questions about label 'LASPH'

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by VASP001 » Fri Oct 30, 2009 4:57 pm

1 Replies

3276 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
POTCAR for Pr and Gd in the LDA formalism

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by pratikdholabhai » Thu Oct 29, 2009 10:53 pm

1 Replies

2404 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
Still about GW calculation

Last post by support_vasp « Wed Sep 11, 2024 2:09 pm
Replies: 1
by giacomo giorgi » Thu Oct 29, 2009 7:56 am

1 Replies

2530 Views

Last post by support_vasp
Wed Sep 11, 2024 2:09 pm
Cs bulk cohesive energy

Last post by support_vasp « Wed Sep 11, 2024 2:09 pm
Replies: 1
by chimaju » Sun Aug 16, 2009 4:48 am

1 Replies

2217 Views

Last post by support_vasp
Wed Sep 11, 2024 2:09 pm
what does "Bulk calculations with internal parameters" stand for ?

Last post by support_vasp « Wed Sep 11, 2024 2:09 pm
Replies: 1
by VASP001 » Wed Oct 28, 2009 4:28 pm

1 Replies

2700 Views

Last post by support_vasp
Wed Sep 11, 2024 2:09 pm
MD for VASP

Last post by support_vasp « Wed Sep 11, 2024 2:09 pm
Replies: 1
by deltz » Tue Oct 27, 2009 3:37 pm

1 Replies

2654 Views

Last post by support_vasp
Wed Sep 11, 2024 2:09 pm
Ru vs Ru_pv pseudopotential

Last post by support_vasp « Wed Sep 11, 2024 2:09 pm
Replies: 1
by Matzep » Tue Oct 27, 2009 11:06 am

1 Replies

2506 Views

Last post by support_vasp
Wed Sep 11, 2024 2:09 pm
Elastic constant under high pressure

Last post by support_vasp « Wed Sep 11, 2024 2:09 pm
Replies: 1
by tfb » Mon Oct 26, 2009 6:37 am

1 Replies

2843 Views

Last post by support_vasp
Wed Sep 11, 2024 2:09 pm
Which Nose mass corresponds to SMASS=2?

Last post by support_vasp « Wed Sep 11, 2024 2:09 pm
Replies: 1
by helvetico » Thu Oct 22, 2009 2:47 pm

1 Replies

2638 Views

Last post by support_vasp
Wed Sep 11, 2024 2:09 pm
surface core level shifts

Last post by support_vasp « Wed Sep 11, 2024 2:08 pm
Replies: 1
by fatihgsen » Mon Aug 10, 2009 5:14 am

1 Replies

2881 Views

Last post by support_vasp
Wed Sep 11, 2024 2:08 pm
k-point convergence for non-cillinear calculations

Last post by support_vasp « Wed Sep 11, 2024 2:08 pm
Replies: 1
by peterklaver » Wed Oct 21, 2009 9:28 am

1 Replies

2621 Views

Last post by support_vasp
Wed Sep 11, 2024 2:08 pm
does vasp5.2 can calculate the phonon frequency ?

Last post by support_vasp « Wed Sep 11, 2024 2:08 pm
Replies: 1
by tfb » Thu Aug 06, 2009 12:34 pm

1 Replies

2411 Views

Last post by support_vasp
Wed Sep 11, 2024 2:08 pm
strange energy ordering in G0W0 calculation

Last post by support_vasp « Wed Sep 11, 2024 2:08 pm
Replies: 1
by giacomo giorgi » Thu Sep 17, 2009 6:29 am

1 Replies

2432 Views

Last post by support_vasp
Wed Sep 11, 2024 2:08 pm

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