Using VASP

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problem with relaxation

Last post by admin « Thu Jun 01, 2006 2:16 pm
Replies: 2
by Hanna » Fri May 26, 2006 1:36 pm

2 Replies

7970 Views

Last post by admin
Thu Jun 01, 2006 2:16 pm
From hands-on session: 2_8_fccNi_dos: don't understand DOSCAR file

Last post by forsdan « Thu Jun 01, 2006 1:20 pm
Replies: 1
by lahaye » Thu Jun 01, 2006 7:27 am

1 Replies

7525 Views

Last post by forsdan
Thu Jun 01, 2006 1:20 pm
Drawing the spin polarized bands

Last post by admin « Wed May 24, 2006 1:20 pm
Replies: 2
by hacret » Wed May 24, 2006 1:17 am

2 Replies

12055 Views

Last post by admin
Wed May 24, 2006 1:20 pm
which energy is correct?

Last post by Charles W. Bauschlicher « Tue May 23, 2006 10:30 pm
Replies: 5
by Charles W. Bauschlicher » Thu May 11, 2006 4:32 pm

5 Replies

13414 Views

Last post by Charles W. Bauschlicher
Tue May 23, 2006 10:30 pm
what is the energy reference of eigenvalues and potential?

Last post by admin « Tue May 23, 2006 2:40 pm
Replies: 1
by cpp6f » Mon May 08, 2006 3:46 am

1 Replies

8358 Views

Last post by admin
Tue May 23, 2006 2:40 pm
wavefunction format

Last post by admin « Tue May 23, 2006 2:27 pm
Replies: 1
by priya » Fri May 19, 2006 8:43 am

1 Replies

6850 Views

Last post by admin
Tue May 23, 2006 2:27 pm
Pressure unit

Last post by Tyx « Tue May 23, 2006 9:09 am
Replies: 1
by forsdan » Tue May 23, 2006 6:47 am

1 Replies

11428 Views

Last post by Tyx
Tue May 23, 2006 9:09 am
Can I trust this calculation?

Last post by Tyx « Fri May 19, 2006 1:05 pm
Replies: 2
by Tyx » Thu May 18, 2006 3:31 pm

2 Replies

8427 Views

Last post by Tyx
Fri May 19, 2006 1:05 pm
The Error in the relaxatioion of atom positions

Last post by admin « Thu May 18, 2006 2:49 pm
Replies: 1
by okuno » Tue May 16, 2006 9:50 am

1 Replies

7469 Views

Last post by admin
Thu May 18, 2006 2:49 pm
Can I extract electron probability distribution for a particular band and K value?

Last post by admin « Thu May 18, 2006 2:11 pm
Replies: 1
by lahaye » Mon May 15, 2006 6:32 am

1 Replies

7385 Views

Last post by admin
Thu May 18, 2006 2:11 pm
How can I calculate the appropriate RWIGS

Last post by admin « Thu May 18, 2006 1:58 pm
Replies: 1
by hehui » Wed May 10, 2006 3:06 am

1 Replies

7619 Views

Last post by admin
Thu May 18, 2006 1:58 pm
relativistic pseudo potential for gold

Last post by admin « Thu May 18, 2006 1:54 pm
Replies: 3
by davide ricci » Fri Mar 25, 2005 12:27 am

3 Replies

12419 Views

Last post by admin
Thu May 18, 2006 1:54 pm
Restricted movement

Last post by tjf « Mon May 15, 2006 1:46 pm
Replies: 6
by forsdan » Wed May 10, 2006 11:05 am

6 Replies

15489 Views

Last post by tjf
Mon May 15, 2006 1:46 pm
Total E not conserved in a MD run (smass=-3)

Last post by phtobias « Sat May 13, 2006 7:37 am
Replies: 3
by phtobias » Tue Apr 18, 2006 3:05 am

3 Replies

9830 Views

Last post by phtobias
Sat May 13, 2006 7:37 am
Whether could I ask the administrator of VASP in my group to download the Tb standard potential?

Last post by MDrizzle « Tue May 09, 2006 7:54 pm
Replies: 3
by MDrizzle » Thu May 04, 2006 1:45 pm

3 Replies

9849 Views

Last post by MDrizzle
Tue May 09, 2006 7:54 pm
problem on RWIGS

Last post by admin « Tue May 09, 2006 9:59 am
Replies: 1
by hehui » Tue May 09, 2006 2:50 am

1 Replies

7697 Views

Last post by admin
Tue May 09, 2006 9:59 am
LDOS calculation: error from vasp.err

Last post by Veronika « Mon May 08, 2006 8:09 am
Replies: 1
by opvu » Sun May 07, 2006 2:32 pm

1 Replies

8840 Views

Last post by Veronika
Mon May 08, 2006 8:09 am
What does the number '3' mean in the name of PAW Ce_3 potential

Last post by MDrizzle « Thu May 04, 2006 1:49 pm
Replies: 2
by MDrizzle » Thu May 04, 2006 12:27 pm

2 Replies

8271 Views

Last post by MDrizzle
Thu May 04, 2006 1:49 pm
ISMEAR for semiconductors

Last post by Graciani « Wed May 03, 2006 12:28 pm
Replies: 1
by hu007 » Wed Apr 26, 2006 3:09 pm

1 Replies

8203 Views

Last post by Graciani
Wed May 03, 2006 12:28 pm
frequency calculation

Last post by konglt « Mon May 01, 2006 12:24 pm
Replies: 3
by hlzya » Thu Apr 13, 2006 1:30 pm

3 Replies

11487 Views

Last post by konglt
Mon May 01, 2006 12:24 pm

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