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How to calculate the segregation energy?

Last post by support_vasp « Tue Sep 10, 2024 2:22 pm
Replies: 1
by summer » Thu Oct 25, 2012 4:41 am

1 Replies

4747 Views

Last post by support_vasp
Tue Sep 10, 2024 2:22 pm
LDA - 0.5

Last post by support_vasp « Tue Sep 10, 2024 2:22 pm
Replies: 1
by magal » Thu Aug 23, 2012 12:10 pm

1 Replies

4284 Views

Last post by support_vasp
Tue Sep 10, 2024 2:22 pm
POTCAR problem

Last post by support_vasp « Tue Sep 10, 2024 2:22 pm
Replies: 1
by TopolM » Fri Jul 13, 2012 5:28 pm

1 Replies

4397 Views

Last post by support_vasp
Tue Sep 10, 2024 2:22 pm
New pseudopotential (*GW)

Last post by support_vasp « Tue Sep 10, 2024 2:22 pm
Replies: 1
by Davids.rivera » Sun Oct 21, 2012 5:22 am

1 Replies

4556 Views

Last post by support_vasp
Tue Sep 10, 2024 2:22 pm
convergence problem

Last post by support_vasp « Tue Sep 10, 2024 2:22 pm
Replies: 1
by sungeng » Thu Oct 18, 2012 1:29 pm

1 Replies

4380 Views

Last post by support_vasp
Tue Sep 10, 2024 2:22 pm
during Barry's calculation WARNING: larger than pi/2, not well clustered.

Last post by support_vasp « Tue Sep 10, 2024 2:22 pm
Replies: 1
by alistar » Wed Oct 17, 2012 3:23 pm

1 Replies

4252 Views

Last post by support_vasp
Tue Sep 10, 2024 2:22 pm
bug in mkpoints_full.f

Last post by support_vasp « Tue Sep 10, 2024 2:22 pm
Replies: 1
by pblanko » Wed Oct 10, 2012 4:50 am

1 Replies

4454 Views

Last post by support_vasp
Tue Sep 10, 2024 2:22 pm
DFPT (IBRION=8) does not satisify EDIFF convergence criteria

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by ande1141 » Mon Jul 09, 2012 9:16 pm

1 Replies

4762 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
LCALCPOL won't work for low band gap materials

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by hipertrofia » Tue Mar 27, 2012 2:52 pm

1 Replies

4629 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
Calculation gets stuck at SETDIJ

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by narayaa » Wed Aug 22, 2012 7:30 pm

1 Replies

4443 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
internal error in RACC0MU

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by gVallverdu » Wed Mar 28, 2012 5:18 pm

1 Replies

4391 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
Initial velocities in MD run

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by kmkumar » Mon Jun 11, 2012 5:22 pm

1 Replies

4574 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
constraint spin direction fails

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by ktao » Tue Jul 24, 2012 9:50 pm

1 Replies

4721 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
VASP won't write PROCAR file

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by jms » Thu Jun 14, 2012 6:12 pm

1 Replies

5260 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
Job fails when changing the lattice parameter

Last post by support_vasp « Tue Sep 10, 2024 2:21 pm
Replies: 1
by nkwem » Tue Jul 31, 2012 11:15 am

1 Replies

4281 Views

Last post by support_vasp
Tue Sep 10, 2024 2:21 pm
LSELFENERGY not read correctly

Last post by support_vasp « Tue Sep 10, 2024 2:20 pm
Replies: 1
by hess8 » Wed Aug 01, 2012 4:32 am

1 Replies

4289 Views

Last post by support_vasp
Tue Sep 10, 2024 2:20 pm
Problem convergence Bi2Se3 surfaces

Last post by support_vasp « Tue Sep 10, 2024 2:20 pm
Replies: 1
by leonabdalla » Wed Mar 07, 2012 5:33 pm

1 Replies

4703 Views

Last post by support_vasp
Tue Sep 10, 2024 2:20 pm
internal error in RDPARS_ENERGY: not sufficient entries for L= 2

Last post by support_vasp « Tue Sep 10, 2024 2:20 pm
Replies: 1
by gcabeza » Wed Aug 08, 2012 1:35 am

1 Replies

4693 Views

Last post by support_vasp
Tue Sep 10, 2024 2:20 pm
Convergence problem for ionic relaxation in a charged system

Last post by support_vasp « Tue Sep 10, 2024 2:20 pm
Replies: 1
by umklapp » Tue Jun 26, 2012 5:30 pm

1 Replies

4425 Views

Last post by support_vasp
Tue Sep 10, 2024 2:20 pm
GW dielectric function of ice calculation failed

Last post by support_vasp « Tue Sep 10, 2024 2:20 pm
Replies: 1
by mysovsky » Wed Jun 27, 2012 10:02 am

1 Replies

4275 Views

Last post by support_vasp
Tue Sep 10, 2024 2:20 pm

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