Using VASP

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IR spectra

Last post by admin « Tue Nov 06, 2007 1:26 pm
Replies: 1
by rudra-b » Tue Oct 30, 2007 10:05 am

1 Replies

6070 Views

Last post by admin
Tue Nov 06, 2007 1:26 pm
Call to ZHEGV failed

Last post by admin « Tue Nov 06, 2007 1:07 pm
Replies: 1
by TAT » Sun Oct 28, 2007 4:20 pm

1 Replies

6502 Views

Last post by admin
Tue Nov 06, 2007 1:07 pm
How can I read WAVECAR

Last post by kinyip « Tue Nov 06, 2007 2:29 am
Replies: 2
by hehui » Wed May 23, 2007 2:15 pm

2 Replies

6761 Views

Last post by kinyip
Tue Nov 06, 2007 2:29 am
Quantitative Interpretation of Projected DOS

Last post by Franky « Mon Oct 29, 2007 8:57 am
Replies: 3
by Franky » Tue Sep 18, 2007 8:55 am

3 Replies

7668 Views

Last post by Franky
Mon Oct 29, 2007 8:57 am
supercell tetragonal distortion

Last post by admin « Thu Oct 25, 2007 8:24 am
Replies: 1
by lsam » Wed Oct 24, 2007 4:53 pm

1 Replies

4164 Views

Last post by admin
Thu Oct 25, 2007 8:24 am
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

13336 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

5616 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

9211 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

9842 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

5450 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

5406 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

4681 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

3846 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

8092 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

4710 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

4919 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

8124 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

4107 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

4934 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

4804 Views

Last post by user
Tue Oct 09, 2007 5:34 am

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