Using VASP

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IBRION 6 for single-layered materials

Last post by admin « Mon Jul 25, 2016 10:23 am
Replies: 1
by spicykamal » Fri Jul 22, 2016 11:07 pm

1 Replies

2807 Views

Last post by admin
Mon Jul 25, 2016 10:23 am
What happens if you skip the diagonalisation step in GW ?

Last post by askhetan « Fri Jul 15, 2016 1:15 pm
Replies: 2
by askhetan » Wed Jul 13, 2016 9:28 pm

2 Replies

3088 Views

Last post by askhetan
Fri Jul 15, 2016 1:15 pm
p4vasp

Last post by askhetan « Mon Jul 11, 2016 10:58 am
Replies: 2
by hongbiao » Wed Jun 22, 2016 6:47 pm

2 Replies

3821 Views

Last post by askhetan
Mon Jul 11, 2016 10:58 am
How to determine if a defect state is occupied or not

Last post by Neutrino « Sun Jul 03, 2016 11:00 am
Replies: 1
by sjtuzhanglei » Thu Jun 30, 2016 6:34 pm

1 Replies

2826 Views

Last post by Neutrino
Sun Jul 03, 2016 11:00 am
Question about ISYM

Last post by Neutrino « Wed Jun 29, 2016 2:14 am
Replies: 3
by hongbiao » Sun Jun 05, 2016 1:29 am

3 Replies

4875 Views

Last post by Neutrino
Wed Jun 29, 2016 2:14 am
FORCES and GRID in Supercells

Last post by admin « Tue Jun 28, 2016 1:38 pm
Replies: 1
by DukeSilver » Tue Jun 28, 2016 6:56 am

1 Replies

2721 Views

Last post by admin
Tue Jun 28, 2016 1:38 pm
DOS calculation

Last post by hongbiao « Sat Jun 25, 2016 8:09 pm
Replies: 3
by hongbiao » Mon Jun 20, 2016 6:32 pm

3 Replies

6619 Views

Last post by hongbiao
Sat Jun 25, 2016 8:09 pm
EDIFF

Last post by Neutrino « Thu Jun 23, 2016 5:21 am
Replies: 2
by mgarcia » Wed Jun 22, 2016 10:59 am

2 Replies

3404 Views

Last post by Neutrino
Thu Jun 23, 2016 5:21 am
VERY BAD NEWS of IBZKPT in vasp 5.3 with IBRION=6

Last post by jnokelai « Fri Jun 17, 2016 12:35 pm
Replies: 8
by terencelz » Mon Dec 01, 2014 12:35 am

8 Replies

20985 Views

Last post by jnokelai
Fri Jun 17, 2016 12:35 pm
Continuing Relax

Last post by admin « Tue Jun 14, 2016 10:50 am
Replies: 1
by aruth » Mon Jun 13, 2016 7:59 pm

1 Replies

5724 Views

Last post by admin
Tue Jun 14, 2016 10:50 am
K-point convergence

Last post by admin « Fri Jun 10, 2016 9:34 am
Replies: 1
by spicykamal » Thu Jun 09, 2016 11:49 pm

1 Replies

2756 Views

Last post by admin
Fri Jun 10, 2016 9:34 am
how to add charge in the system during the calculation

Last post by admin « Wed Jun 08, 2016 2:44 pm
Replies: 3
by xingbin » Tue Jun 07, 2016 2:08 pm

3 Replies

3998 Views

Last post by admin
Wed Jun 08, 2016 2:44 pm
Introduce Repulsive Gaussian Potential at atomic sites VASP

Last post by admin « Wed Jun 08, 2016 2:39 pm
Replies: 1
by sasant » Tue Jun 07, 2016 4:04 pm

1 Replies

2926 Views

Last post by admin
Wed Jun 08, 2016 2:39 pm
Can the 4 iterations of GW0 calculation be done seperately?

Last post by askhetan « Tue Jun 07, 2016 8:44 am
Replies: 8
by huangj3 » Fri Nov 07, 2014 9:35 pm

8 Replies

7122 Views

Last post by askhetan
Tue Jun 07, 2016 8:44 am
MD simulations for surfaces

Last post by admin « Mon Jun 06, 2016 1:49 pm
Replies: 1
by hat343 » Mon Jun 06, 2016 4:16 am

1 Replies

2498 Views

Last post by admin
Mon Jun 06, 2016 1:49 pm
ICORELEVEL CLNT TAG

Last post by camille « Mon Jun 06, 2016 11:02 am
Replies: 2
by camille » Thu Jun 02, 2016 4:38 pm

2 Replies

4606 Views

Last post by camille
Mon Jun 06, 2016 11:02 am
very simple query about GPU

Last post by admin « Thu Jun 02, 2016 12:34 pm
Replies: 1
by askhetan » Wed Jun 01, 2016 10:23 pm

1 Replies

11582 Views

Last post by admin
Thu Jun 02, 2016 12:34 pm
position of atoms in unit cell and structural relaxation

Last post by hongbiao « Wed May 25, 2016 11:28 pm
Replies: 3
by hongbiao » Tue May 24, 2016 6:39 pm

3 Replies

3900 Views

Last post by hongbiao
Wed May 25, 2016 11:28 pm
Dielectric constant in LOPTICS

Last post by M Dave « Wed May 25, 2016 9:33 am
Replies: 4
by M Dave » Mon May 23, 2016 5:28 pm

4 Replies

4465 Views

Last post by M Dave
Wed May 25, 2016 9:33 am
BSE optical transitions

Last post by admin « Mon May 23, 2016 1:59 pm
Replies: 1
by denis » Fri May 20, 2016 10:34 pm

1 Replies

3364 Views

Last post by admin
Mon May 23, 2016 1:59 pm

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