Using VASP

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AIMD - RDF - PMF - pKa calculation?

Last post by support_vasp « Wed Sep 11, 2024 3:39 pm
Replies: 1
by jinylee » Wed Oct 10, 2018 10:54 am

1 Replies

2431 Views

Last post by support_vasp
Wed Sep 11, 2024 3:39 pm
Plz example of MDALGO=21

Last post by support_vasp « Wed Sep 11, 2024 3:39 pm
Replies: 1
by jinylee » Wed Oct 10, 2018 10:47 am

1 Replies

1953 Views

Last post by support_vasp
Wed Sep 11, 2024 3:39 pm
light polarization in BSE

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by wxiaom86 » Sun Aug 19, 2018 4:54 am

1 Replies

2013 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
Electron and hole carrier densities using VASP

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by sandeep.kumar » Tue Aug 07, 2018 6:11 am

1 Replies

2965 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
Is DFPT+U possible?

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by smattsson » Thu Jun 21, 2018 3:04 pm

1 Replies

2553 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
Negative parts of elastic tensor from VASP

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by filip.formalik » Fri Jun 15, 2018 2:30 pm

1 Replies

2006 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
vdW corrections in eV from BEEF in vasp

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by luckylin » Tue Jun 12, 2018 3:33 pm

1 Replies

2276 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
Smearing and Broadening

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by kkang14 » Mon May 28, 2018 6:12 pm

1 Replies

1879 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
Contraint electron in one of the degenerate orbitals

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by baranas » Fri May 25, 2018 11:57 am

1 Replies

2061 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
Electric field applied band structure

Last post by support_vasp « Wed Sep 11, 2024 3:38 pm
Replies: 1
by biswajit@ball » Wed May 23, 2018 7:49 am

1 Replies

2006 Views

Last post by support_vasp
Wed Sep 11, 2024 3:38 pm
lattice optimization of charged 2d materials

Last post by support_vasp « Wed Sep 11, 2024 3:37 pm
Replies: 1
by corbin » Sun Aug 25, 2019 5:45 am

1 Replies

2218 Views

Last post by support_vasp
Wed Sep 11, 2024 3:37 pm
Planar average of 3D volumetric data

Last post by support_vasp « Wed Sep 11, 2024 3:12 pm
Replies: 1
by tuocvu » Fri Aug 23, 2019 3:33 am

1 Replies

2789 Views

Last post by support_vasp
Wed Sep 11, 2024 3:12 pm
polarisation direction in LOPTICS

Last post by support_vasp « Wed Sep 11, 2024 3:12 pm
Replies: 1
by call_me_Al » Wed Aug 14, 2019 11:33 am

1 Replies

2066 Views

Last post by support_vasp
Wed Sep 11, 2024 3:12 pm
Electric field force on nuclei

Last post by support_vasp « Wed Sep 11, 2024 3:12 pm
Replies: 1
by aohara » Thu Jul 11, 2019 6:44 pm

1 Replies

2037 Views

Last post by support_vasp
Wed Sep 11, 2024 3:12 pm
Fermi energy above the conduction band minimum

Last post by support_vasp « Wed Sep 11, 2024 3:12 pm
Replies: 1
by phonics » Fri Jul 05, 2019 10:08 am

1 Replies

1993 Views

Last post by support_vasp
Wed Sep 11, 2024 3:12 pm
17O NMR calculation

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by farahnaz.mlk » Tue Jul 02, 2019 9:28 am

1 Replies

1934 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
Spin spiral calculation and periodic boundary condition

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by wenteli » Wed Jun 26, 2019 11:14 pm

1 Replies

2034 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
SCAN (usage) and self-consistency

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by chrstphr » Sun Jun 09, 2019 10:40 am

1 Replies

2591 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
How to calculate radial part of the wave function?

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by techlee » Fri Jun 07, 2019 1:50 am

1 Replies

1693 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
Structural deformation under electric field

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by ipark008 » Tue Jun 04, 2019 10:21 pm

1 Replies

1844 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm

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