Using VASP

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The energy difference between seiral and parallel

Last post by admin « Fri Nov 23, 2007 2:19 pm
Replies: 3
by lanjh » Sat Nov 17, 2007 9:47 am

3 Replies

5999 Views

Last post by admin
Fri Nov 23, 2007 2:19 pm
about he negative frequency in bcc lithium.

Last post by admin « Wed Nov 21, 2007 11:27 am
Replies: 1
by tfb » Sun Nov 18, 2007 12:21 pm

1 Replies

5038 Views

Last post by admin
Wed Nov 21, 2007 11:27 am
Nanoparticle-Calculation

Last post by admin « Wed Nov 21, 2007 11:12 am
Replies: 3
by vaspman » Fri Nov 16, 2007 12:31 am

3 Replies

6030 Views

Last post by admin
Wed Nov 21, 2007 11:12 am
Questions about GGA-tag

Last post by admin « Wed Nov 21, 2007 11:07 am
Replies: 4
by tsanghsiu » Fri Nov 09, 2007 6:56 pm

4 Replies

6374 Views

Last post by admin
Wed Nov 21, 2007 11:07 am
E-fermi for band structure

Last post by user « Fri Nov 16, 2007 9:52 pm
Replies: 2
by user » Thu Nov 08, 2007 2:38 am

2 Replies

9794 Views

Last post by user
Fri Nov 16, 2007 9:52 pm
2pi/SCALE, what is the meaning of SCALE?

Last post by sigi14 « Fri Nov 16, 2007 4:11 pm
Replies: 2
by sigi14 » Thu Nov 15, 2007 8:29 pm

2 Replies

6327 Views

Last post by sigi14
Fri Nov 16, 2007 4:11 pm
band structure K points?

Last post by Jiaye Li « Thu Nov 15, 2007 1:44 am
Replies: 6
by Jiaye Li » Thu Oct 25, 2007 12:08 am

6 Replies

12883 Views

Last post by Jiaye Li
Thu Nov 15, 2007 1:44 am
How to read the lattice parameters from OUCAR?

Last post by Jiaye Li « Thu Nov 15, 2007 1:42 am
Replies: 3
by Jiaye Li » Sat Oct 27, 2007 12:52 pm

3 Replies

6604 Views

Last post by Jiaye Li
Thu Nov 15, 2007 1:42 am
How can I make a movie of vibration frequencies?

Last post by admin « Mon Nov 12, 2007 12:26 pm
Replies: 1
by mgarcia » Mon Nov 12, 2007 10:48 am

1 Replies

5382 Views

Last post by admin
Mon Nov 12, 2007 12:26 pm
Vibration frequancy

Last post by Franky « Thu Nov 08, 2007 9:16 am
Replies: 4
by simoneca » Tue Nov 06, 2007 10:10 am

4 Replies

8039 Views

Last post by Franky
Thu Nov 08, 2007 9:16 am
num prob

Last post by admin « Wed Nov 07, 2007 3:06 pm
Replies: 1
by Greekman » Wed Nov 07, 2007 11:58 am

1 Replies

9902 Views

Last post by admin
Wed Nov 07, 2007 3:06 pm
lanthanum (La) GGA pseudopotential

Last post by admin « Wed Nov 07, 2007 12:01 pm
Replies: 1
by mindflying » Thu Nov 01, 2007 8:12 pm

1 Replies

5141 Views

Last post by admin
Wed Nov 07, 2007 12:01 pm
Is charge transfer from molecules to surfaces possible in vasp?

Last post by admin « Tue Nov 06, 2007 1:48 pm
Replies: 1
by vaspwu » Mon Nov 05, 2007 8:22 am

1 Replies

4483 Views

Last post by admin
Tue Nov 06, 2007 1:48 pm
parallelization scheme in VASP

Last post by admin « Tue Nov 06, 2007 1:42 pm
Replies: 1
by jhlee » Sat Nov 03, 2007 12:00 am

1 Replies

4030 Views

Last post by admin
Tue Nov 06, 2007 1:42 pm
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

6521 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

7056 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

7271 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

8357 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

4540 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

14485 Views

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

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