Using VASP

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how can I calculate the infrared (IR) intensity

Last post by support_vasp « Thu Sep 12, 2024 8:36 am
Replies: 1
by weihu » Mon May 05, 2014 4:03 pm

1 Replies

1371 Views

Last post by support_vasp
Thu Sep 12, 2024 8:36 am
calculation of band decomposed chargedensity in spin polarization system

Last post by support_vasp « Thu Sep 12, 2024 8:35 am
Replies: 1
by xinhuanwen » Sat Apr 23, 2011 9:00 am

1 Replies

1274 Views

Last post by support_vasp
Thu Sep 12, 2024 8:35 am
Youngs modulus of Graphene oxide

Last post by support_vasp « Thu Sep 12, 2024 8:35 am
Replies: 1
by Raidansun » Sun May 19, 2013 4:00 pm

1 Replies

1438 Views

Last post by support_vasp
Thu Sep 12, 2024 8:35 am
Free electronic energy, outdata

Last post by support_vasp « Thu Sep 12, 2024 8:35 am
Replies: 1
by quitethedude » Thu Oct 03, 2013 6:05 pm

1 Replies

1198 Views

Last post by support_vasp
Thu Sep 12, 2024 8:35 am
local axis of PDOS

Last post by support_vasp « Thu Sep 12, 2024 8:35 am
Replies: 1
by corbin » Wed Jul 20, 2011 3:53 pm

1 Replies

1447 Views

Last post by support_vasp
Thu Sep 12, 2024 8:35 am
convergence problem of the surface of magnetic material (linear mixing)

Last post by support_vasp « Thu Sep 12, 2024 8:35 am
Replies: 1
by okuno » Wed Oct 17, 2012 10:20 am

1 Replies

1284 Views

Last post by support_vasp
Thu Sep 12, 2024 8:35 am
problem with total drift

Last post by support_vasp « Thu Sep 12, 2024 8:35 am
Replies: 1
by unique123 » Mon Apr 22, 2013 8:54 pm

1 Replies

1188 Views

Last post by support_vasp
Thu Sep 12, 2024 8:35 am
How to perform constant pressure simulation by using vasp5.3.3

Last post by support_vasp « Thu Sep 12, 2024 8:35 am
Replies: 1
by Jiang » Sun Jun 02, 2013 8:12 am

1 Replies

1058 Views

Last post by support_vasp
Thu Sep 12, 2024 8:35 am
spin orbital problem

Last post by support_vasp « Thu Sep 12, 2024 8:34 am
Replies: 1
by ktao » Mon Jul 23, 2012 9:01 pm

1 Replies

2041 Views

Last post by support_vasp
Thu Sep 12, 2024 8:34 am
add electric field into periodic three dimensional structure

Last post by support_vasp « Thu Sep 12, 2024 8:34 am
Replies: 1
by jinshang » Tue Jan 28, 2014 3:02 am

1 Replies

1344 Views

Last post by support_vasp
Thu Sep 12, 2024 8:34 am
Applying a finite electric field

Last post by support_vasp « Thu Sep 12, 2024 8:34 am
Replies: 1
by kor1981 » Fri Jan 24, 2014 7:36 am

1 Replies

2499 Views

Last post by support_vasp
Thu Sep 12, 2024 8:34 am
How can I apply strain?

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by Nanco » Fri Jan 24, 2014 4:20 am

1 Replies

1547 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
How can I do the calculation of optics properties with the selected energy range

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by msdeng » Tue Jan 21, 2014 1:44 pm

1 Replies

1088 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
problem on Sm potential

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by wen » Tue Jan 21, 2014 3:27 am

1 Replies

1235 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
Optimization of Organic Molecules on MoO3

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by danith » Wed Oct 17, 2012 4:54 pm

1 Replies

1374 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
order of f orbitals in DOSCAR

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by arnt » Wed Jun 08, 2011 2:02 pm

1 Replies

1441 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
polarizability (diag[e(oo)]) units

Last post by support_vasp « Thu Sep 12, 2024 8:33 am
Replies: 1
by Isabel » Mon Jul 15, 2013 3:52 pm

1 Replies

1205 Views

Last post by support_vasp
Thu Sep 12, 2024 8:33 am
ISPIN tag for nonmagnetic surface+adsorbate calculation

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by googhgoo » Thu Oct 03, 2013 9:14 pm

1 Replies

1151 Views

Last post by support_vasp
Thu Sep 12, 2024 8:32 am
relaxation with constrained magnetic moments

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by ipc01 » Sun Apr 24, 2011 11:36 am

1 Replies

1172 Views

Last post by support_vasp
Thu Sep 12, 2024 8:32 am
Should ?LCALCPOL? be used after scf?

Last post by support_vasp « Thu Sep 12, 2024 8:32 am
Replies: 1
by nkxirainbow » Mon Dec 05, 2011 6:23 pm

1 Replies

1285 Views

Last post by support_vasp
Thu Sep 12, 2024 8:32 am

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