Using VASP

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contribution of thermostat energy

Last post by support_vasp « Wed Sep 11, 2024 3:39 pm
Replies: 1
by jinylee » Tue Oct 30, 2018 2:25 am

1 Replies

2187 Views

Last post by support_vasp
Wed Sep 11, 2024 3:39 pm
dielectric constant calculation

Last post by support_vasp « Wed Sep 11, 2024 3:39 pm
Replies: 1
by leisy » Thu Oct 11, 2018 10:07 am

1 Replies

2520 Views

Last post by support_vasp
Wed Sep 11, 2024 3:39 pm
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

2598 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

2113 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

2145 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

3106 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

2724 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

2158 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

2422 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

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1988 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

2218 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

2113 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

2352 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

2936 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

2214 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

2198 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

2150 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

2085 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

2213 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

2771 Views

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

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