Using VASP

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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

3889 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

22245 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

6753 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

3081 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

4598 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

3225 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

8208 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

2783 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

5115 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

12005 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

4487 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

5042 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

3688 Views

Last post by admin
Mon May 23, 2016 1:59 pm
how to keep track of the force change during optimization?

Last post by admin « Mon May 23, 2016 12:03 pm
Replies: 1
by hongbiao » Thu May 19, 2016 8:42 pm

1 Replies

2943 Views

Last post by admin
Mon May 23, 2016 12:03 pm
Free, isolated atom calculation

Last post by Neutrino « Fri May 20, 2016 2:18 am
Replies: 3
by zsoltrak » Thu May 12, 2016 7:03 pm

3 Replies

4949 Views

Last post by Neutrino
Fri May 20, 2016 2:18 am
CHGCAR size changes

Last post by admin « Tue May 17, 2016 11:19 am
Replies: 1
by markmick » Tue May 17, 2016 12:37 am

1 Replies

3592 Views

Last post by admin
Tue May 17, 2016 11:19 am
cohesive energy of transition metal oxides

Last post by Neutrino « Thu May 12, 2016 6:21 am
Replies: 1
by zsoltrak » Tue May 10, 2016 5:31 pm

1 Replies

3292 Views

Last post by Neutrino
Thu May 12, 2016 6:21 am
A problem with molecule NO

Last post by tonylxh « Wed May 11, 2016 11:11 am
Replies: 7
by tonylxh » Mon May 02, 2016 11:14 am

7 Replies

6650 Views

Last post by tonylxh
Wed May 11, 2016 11:11 am
Post processing WAVECAR file

Last post by jnokelai « Thu Apr 28, 2016 8:56 pm
Replies: 1
by jmullen » Wed Apr 27, 2016 5:14 pm

1 Replies

5050 Views

Last post by jnokelai
Thu Apr 28, 2016 8:56 pm
LHFCALC is FALSE not matter what I set

Last post by jmullen « Wed Apr 27, 2016 5:10 pm
Replies: 2
by jmullen » Sun Apr 17, 2016 5:26 pm

2 Replies

3775 Views

Last post by jmullen
Wed Apr 27, 2016 5:10 pm

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