Using VASP

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how can I write WAVECAR and charge density during the iterations?

Last post by admin « Wed Oct 24, 2007 9:53 am
Replies: 5
by zj » Tue May 17, 2005 2:37 pm

5 Replies

13626 Views

Last post by admin
Wed Oct 24, 2007 9:53 am
Electric polarization

Last post by chlee « Mon Oct 22, 2007 4:43 pm
Replies: 3
by chlee » Fri Oct 19, 2007 9:41 pm

3 Replies

5790 Views

Last post by chlee
Mon Oct 22, 2007 4:43 pm
Is the Gibbs free energy calculated by VASP?

Last post by admin « Fri Oct 19, 2007 1:51 pm
Replies: 3
by oja » Thu Oct 18, 2007 8:06 am

3 Replies

9343 Views

Last post by admin
Fri Oct 19, 2007 1:51 pm
The adsorption energy is bonus?

Last post by radny « Wed Oct 17, 2007 6:21 am
Replies: 7
by lanjh » Wed Jun 27, 2007 12:54 am

7 Replies

10010 Views

Last post by radny
Wed Oct 17, 2007 6:21 am
NEB parallel

Last post by Jiaye Li « Wed Oct 17, 2007 1:29 am
Replies: 2
by Jiaye Li » Mon Oct 15, 2007 11:57 am

2 Replies

5571 Views

Last post by Jiaye Li
Wed Oct 17, 2007 1:29 am
about soidum lattic parameter

Last post by tfb « Wed Oct 17, 2007 12:54 am
Replies: 2
by tfb » Tue Oct 16, 2007 12:53 am

2 Replies

5510 Views

Last post by tfb
Wed Oct 17, 2007 12:54 am
Electronic loop failed to converge

Last post by tfb « Wed Oct 17, 2007 12:54 am
Replies: 2
by Tian » Mon Oct 15, 2007 1:54 am

2 Replies

4778 Views

Last post by tfb
Wed Oct 17, 2007 12:54 am
workshop

Last post by admin « Mon Oct 15, 2007 9:34 am
Replies: 1
by rudra-b » Sat Oct 13, 2007 1:53 pm

1 Replies

3915 Views

Last post by admin
Mon Oct 15, 2007 9:34 am
about velocity in molecular dynamics

Last post by tfb « Thu Oct 11, 2007 10:12 am
Replies: 4
by tfb » Tue Oct 09, 2007 2:15 am

4 Replies

8246 Views

Last post by tfb
Thu Oct 11, 2007 10:12 am
Fe3O4 valence charges

Last post by admin « Wed Oct 10, 2007 7:35 am
Replies: 1
by ahromero » Mon Oct 08, 2007 3:07 pm

1 Replies

4793 Views

Last post by admin
Wed Oct 10, 2007 7:35 am
Band Crossing

Last post by admin « Wed Oct 10, 2007 7:28 am
Replies: 1
by otalvaro » Wed Oct 10, 2007 1:45 am

1 Replies

4987 Views

Last post by admin
Wed Oct 10, 2007 7:28 am
Is the enthalpy term included in VASP total energy?

Last post by oja « Wed Oct 10, 2007 7:28 am
Replies: 2
by oja » Mon Oct 08, 2007 1:43 pm

2 Replies

8220 Views

Last post by oja
Wed Oct 10, 2007 7:28 am
Electronic Loops of Band structure calculation

Last post by admin « Tue Oct 09, 2007 8:13 am
Replies: 1
by zhichengzhong » Mon Oct 08, 2007 2:21 pm

1 Replies

4227 Views

Last post by admin
Tue Oct 09, 2007 8:13 am
When can I buy a new version of VASP (vasp 5) ?

Last post by admin « Tue Oct 09, 2007 7:43 am
Replies: 1
by chorawut » Tue Oct 09, 2007 3:07 am

1 Replies

5011 Views

Last post by admin
Tue Oct 09, 2007 7:43 am
Comparing band structures

Last post by user « Tue Oct 09, 2007 5:34 am
Replies: 2
by user » Sat Oct 06, 2007 11:07 pm

2 Replies

4899 Views

Last post by user
Tue Oct 09, 2007 5:34 am
Accurate total forces in SiO2

Last post by admin « Mon Oct 08, 2007 7:46 am
Replies: 1
by bdhehr » Thu Oct 04, 2007 5:02 pm

1 Replies

4820 Views

Last post by admin
Mon Oct 08, 2007 7:46 am
Frozen phonon calculation ?

Last post by admin « Mon Oct 08, 2007 7:39 am
Replies: 1
by nus11 » Thu Oct 04, 2007 6:21 pm

1 Replies

6237 Views

Last post by admin
Mon Oct 08, 2007 7:39 am
Information on the plane waves

Last post by admin « Mon Oct 08, 2007 7:35 am
Replies: 2
by janbor » Fri Oct 05, 2007 9:11 am

2 Replies

4702 Views

Last post by admin
Mon Oct 08, 2007 7:35 am
Is this Antiferro- or Ferrim-magnetic soloution-Again

Last post by admin « Mon Oct 08, 2007 7:31 am
Replies: 1
by vaspman » Sat Oct 06, 2007 7:12 am

1 Replies

4649 Views

Last post by admin
Mon Oct 08, 2007 7:31 am
different potential files

Last post by admin « Mon Oct 08, 2007 7:23 am
Replies: 3
by zlch5 » Wed Oct 03, 2007 9:44 pm

3 Replies

5777 Views

Last post by admin
Mon Oct 08, 2007 7:23 am

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