Using VASP

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a problem in NEB calculation

Last post by boris « Thu Dec 03, 2009 7:47 am
Replies: 11
by enthusiastic » Fri Nov 20, 2009 7:16 am

11 Replies

12908 Views

Last post by boris
Thu Dec 03, 2009 7:47 am
Van der Waals interaction in VASP

Last post by rubel75 « Tue Dec 01, 2009 2:26 pm
Replies: 2
by rubel75 » Thu Nov 26, 2009 1:26 pm

2 Replies

4180 Views

Last post by rubel75
Tue Dec 01, 2009 2:26 pm
Constraint Force

Last post by admin « Tue Dec 01, 2009 2:11 pm
Replies: 1
by pmignon » Tue Nov 17, 2009 6:05 pm

1 Replies

3717 Views

Last post by admin
Tue Dec 01, 2009 2:11 pm
van der Waals interaction sin VASP 5.2

Last post by admin « Tue Dec 01, 2009 2:04 pm
Replies: 3
by jcconesa » Wed Apr 22, 2009 9:19 am

3 Replies

8865 Views

Last post by admin
Tue Dec 01, 2009 2:04 pm
The Transmission function

Last post by admin « Tue Dec 01, 2009 1:59 pm
Replies: 1
by jelenajelic » Wed Nov 25, 2009 10:13 pm

1 Replies

3551 Views

Last post by admin
Tue Dec 01, 2009 1:59 pm
Setting parameters for calculating correct Hessian matrix

Last post by admin « Tue Dec 01, 2009 1:55 pm
Replies: 2
by maryam » Mon Nov 23, 2009 7:43 am

2 Replies

4001 Views

Last post by admin
Tue Dec 01, 2009 1:55 pm
questions on DOS analysis

Last post by admin « Tue Dec 01, 2009 1:40 pm
Replies: 1
by luke419 » Wed Nov 25, 2009 11:28 pm

1 Replies

3781 Views

Last post by admin
Tue Dec 01, 2009 1:40 pm
L point

Last post by admin « Tue Dec 01, 2009 1:26 pm
Replies: 1
by goja25 » Fri Nov 27, 2009 12:48 pm

1 Replies

3121 Views

Last post by admin
Tue Dec 01, 2009 1:26 pm
Workshops / Schools on VASP?

Last post by admin « Mon Nov 30, 2009 8:33 am
Replies: 2
by Free Electron » Thu Nov 12, 2009 3:28 pm

2 Replies

3582 Views

Last post by admin
Mon Nov 30, 2009 8:33 am
Phase diagrams

Last post by Modey3 « Sat Nov 28, 2009 7:38 pm
Replies: 2
by rajeshc » Sat Jun 13, 2009 5:38 pm

2 Replies

3613 Views

Last post by Modey3
Sat Nov 28, 2009 7:38 pm
POTCAR

Last post by goja25 « Thu Nov 26, 2009 1:21 pm
Replies: 2
by goja25 » Tue Nov 17, 2009 9:53 am

2 Replies

3400 Views

Last post by goja25
Thu Nov 26, 2009 1:21 pm
How to do Virtual crystal approximation?

Last post by panda « Wed Nov 25, 2009 7:11 pm
Replies: 1
by ynwu » Mon Nov 23, 2009 10:20 pm

1 Replies

5569 Views

Last post by panda
Wed Nov 25, 2009 7:11 pm
Hessian Matrix calculation

Last post by panda « Wed Nov 25, 2009 7:08 pm
Replies: 3
by ali » Tue Nov 24, 2009 3:03 am

3 Replies

5705 Views

Last post by panda
Wed Nov 25, 2009 7:08 pm
The 'error' in the computation of B3LYP ?

Last post by VASP001 « Sun Nov 22, 2009 5:41 pm
Replies: 4
by VASP001 » Thu Nov 19, 2009 10:29 am

4 Replies

6579 Views

Last post by VASP001
Sun Nov 22, 2009 5:41 pm
Slow convergence problem

Last post by bxcute « Sun Nov 22, 2009 6:08 am
Replies: 1
by mssb2 » Mon Nov 16, 2009 6:50 am

1 Replies

3429 Views

Last post by bxcute
Sun Nov 22, 2009 6:08 am
an error for VASP

Last post by bxcute « Sun Nov 22, 2009 5:53 am
Replies: 2
by bxcute » Fri Nov 20, 2009 1:41 am

2 Replies

3778 Views

Last post by bxcute
Sun Nov 22, 2009 5:53 am
Pressure/Stress in VASP

Last post by panda « Sat Nov 21, 2009 11:27 pm
Replies: 2
by pengx » Mon Nov 16, 2009 5:54 am

2 Replies

7828 Views

Last post by panda
Sat Nov 21, 2009 11:27 pm
amplitude of vibration in frequency calculations

Last post by chenmy « Wed Nov 18, 2009 10:20 am
Replies: 2
by jkawasaki » Mon Jun 18, 2007 1:35 pm

2 Replies

4058 Views

Last post by chenmy
Wed Nov 18, 2009 10:20 am
how to calculate the optics using vasp5.2

Last post by tigeryzz « Tue Nov 17, 2009 7:39 am
Replies: 1
by tigeryzz » Mon Nov 16, 2009 1:47 am

1 Replies

3207 Views

Last post by tigeryzz
Tue Nov 17, 2009 7:39 am
Band Structure Calculations in HF

Last post by kally « Mon Nov 16, 2009 6:04 am
Replies: 7
by tommy91779 » Fri Sep 18, 2009 10:03 am

7 Replies

16407 Views

Last post by kally
Mon Nov 16, 2009 6:04 am

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