Using VASP

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Visualizing charge-density differencies

Last post by Amy « Sun Dec 18, 2005 6:18 am
Replies: 3
by pabi » Mon Dec 05, 2005 1:53 pm

3 Replies

8757 Views

Last post by Amy
Sun Dec 18, 2005 6:18 am
calculate PARCHG, erro reading WAVCAR

Last post by bossten « Fri Dec 16, 2005 3:13 pm
Replies: 4
by bossten » Mon Dec 12, 2005 2:34 am

4 Replies

9950 Views

Last post by bossten
Fri Dec 16, 2005 3:13 pm
How can I set constant pressure in VASP?

Last post by gabral « Tue Dec 13, 2005 7:52 am
Replies: 1
by pga » Mon Dec 12, 2005 6:52 pm

1 Replies

5542 Views

Last post by gabral
Tue Dec 13, 2005 7:52 am
questions about ISYM-tag in spin-orbital coupling case

Last post by dxs571 « Sun Dec 11, 2005 1:22 pm
Replies: 2
by dxs571 » Sun Dec 04, 2005 2:54 am

2 Replies

7694 Views

Last post by dxs571
Sun Dec 11, 2005 1:22 pm
Simulated Annealing

Last post by admin « Tue Dec 06, 2005 11:24 am
Replies: 1
by arijit » Sat Dec 03, 2005 11:51 am

1 Replies

7108 Views

Last post by admin
Tue Dec 06, 2005 11:24 am
MD on Born-Oppenheimer surface

Last post by admin « Tue Dec 06, 2005 11:13 am
Replies: 1
by itomasa » Tue Dec 06, 2005 8:58 am

1 Replies

5844 Views

Last post by admin
Tue Dec 06, 2005 11:13 am
How to calculate Madelung energy?

Last post by admin « Thu Dec 01, 2005 3:31 pm
Replies: 1
by heyao » Thu Dec 01, 2005 7:08 am

1 Replies

6683 Views

Last post by admin
Thu Dec 01, 2005 3:31 pm
Constrained bond lengths, angles, etc.

Last post by admin « Mon Nov 28, 2005 10:26 am
Replies: 1
by cdt9f » Sun Nov 20, 2005 3:22 am

1 Replies

5918 Views

Last post by admin
Mon Nov 28, 2005 10:26 am
H2 binding energy

Last post by oyos « Mon Nov 28, 2005 10:17 am
Replies: 2
by oyos » Thu Nov 17, 2005 7:03 am

2 Replies

15263 Views

Last post by oyos
Mon Nov 28, 2005 10:17 am
Role of ISMEAR in insulator-conductor transition

Last post by admin « Fri Nov 25, 2005 3:34 pm
Replies: 1
by Graciani » Tue Oct 04, 2005 9:24 am

1 Replies

6728 Views

Last post by admin
Fri Nov 25, 2005 3:34 pm
DOS from DOSCAR file

Last post by admin « Thu Nov 24, 2005 1:36 pm
Replies: 1
by lmiao » Tue Nov 08, 2005 7:47 pm

1 Replies

7614 Views

Last post by admin
Thu Nov 24, 2005 1:36 pm
Fermi surface 2D or 3D

Last post by admin « Thu Nov 24, 2005 11:51 am
Replies: 1
by brsahu » Fri Nov 18, 2005 6:24 pm

1 Replies

6359 Views

Last post by admin
Thu Nov 24, 2005 11:51 am
scalar relativistic calculations

Last post by admin « Wed Nov 16, 2005 3:52 pm
Replies: 1
by avan » Thu Oct 20, 2005 5:01 am

1 Replies

7325 Views

Last post by admin
Wed Nov 16, 2005 3:52 pm
Calculation of core-level shifts

Last post by admin « Wed Nov 16, 2005 3:41 pm
Replies: 2
by Oettking » Mon Nov 07, 2005 7:50 am

2 Replies

7976 Views

Last post by admin
Wed Nov 16, 2005 3:41 pm
Total Energy

Last post by cdt9f « Tue Nov 15, 2005 1:58 pm
Replies: 6
by fabella » Sat Nov 12, 2005 1:16 pm

6 Replies

14488 Views

Last post by cdt9f
Tue Nov 15, 2005 1:58 pm
phase factor in PROCAR

Last post by georg « Wed Nov 02, 2005 10:35 pm
Replies: 1
by brsahu » Tue Nov 01, 2005 4:40 pm

1 Replies

7024 Views

Last post by georg
Wed Nov 02, 2005 10:35 pm
Crystal/Structure Builder Software

Last post by bruent « Tue Oct 25, 2005 9:26 am
Replies: 3
by grassman » Fri Oct 07, 2005 12:13 am

3 Replies

9344 Views

Last post by bruent
Tue Oct 25, 2005 9:26 am
local density of states

Last post by bruent « Tue Oct 25, 2005 9:23 am
Replies: 2
by edurgun » Fri Oct 14, 2005 10:00 pm

2 Replies

9555 Views

Last post by bruent
Tue Oct 25, 2005 9:23 am
final state core level shift calculations

Last post by abitees « Sat Oct 08, 2005 10:47 am
Replies: 2
by abitees » Thu Sep 29, 2005 2:01 am

2 Replies

7419 Views

Last post by abitees
Sat Oct 08, 2005 10:47 am
new nudged elastic band questions

Last post by graeme « Mon Oct 03, 2005 2:34 pm
Replies: 1
by mhyman » Sun Oct 02, 2005 8:06 pm

1 Replies

6205 Views

Last post by graeme
Mon Oct 03, 2005 2:34 pm

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