Using VASP

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k point sampling

Last post by Jiaye Li « Tue Nov 18, 2008 5:21 am
Replies: 5
by Jiaye Li » Tue Oct 28, 2008 9:34 am

5 Replies

2605 Views

Last post by Jiaye Li
Tue Nov 18, 2008 5:21 am
CHGCAR & Guidebook: what is Vcell?

Last post by admin « Mon Nov 17, 2008 1:58 pm
Replies: 6
by lahaye » Mon May 15, 2006 5:54 am

6 Replies

3671 Views

Last post by admin
Mon Nov 17, 2008 1:58 pm
how to get the charge mulliken of atoms from OUTCAR

Last post by admin « Mon Nov 17, 2008 1:52 pm
Replies: 1
by rghomari » Thu Nov 13, 2008 12:23 am

1 Replies

5482 Views

Last post by admin
Mon Nov 17, 2008 1:52 pm
superposition of atomic charge densities

Last post by admin « Mon Nov 17, 2008 1:49 pm
Replies: 1
by dholec » Wed Nov 12, 2008 9:50 pm

1 Replies

2580 Views

Last post by admin
Mon Nov 17, 2008 1:49 pm
"total drift" - tooooo big _Help needed

Last post by prithwish « Sat Nov 15, 2008 8:45 am
Replies: 3
by prithwish » Wed Nov 12, 2008 11:07 am

3 Replies

4748 Views

Last post by prithwish
Sat Nov 15, 2008 8:45 am
Complain about GGA_PW91 potential

Last post by admin « Wed Nov 12, 2008 3:50 pm
Replies: 2
by zhichengzhong » Mon Oct 27, 2008 11:02 am

2 Replies

2003 Views

Last post by admin
Wed Nov 12, 2008 3:50 pm
Different results from different computer clusters?

Last post by admin « Wed Nov 12, 2008 3:33 pm
Replies: 2
by fanghz » Sun Nov 02, 2008 4:26 am

2 Replies

2046 Views

Last post by admin
Wed Nov 12, 2008 3:33 pm
WAVECAR: different cutoff or change in lattice found

Last post by admin « Wed Nov 12, 2008 2:42 pm
Replies: 1
by TAT » Fri Oct 24, 2008 3:39 am

1 Replies

2983 Views

Last post by admin
Wed Nov 12, 2008 2:42 pm
problem with IBRION=1

Last post by fanghz « Wed Nov 12, 2008 4:24 am
Replies: 1
by TAT » Sun Nov 09, 2008 9:54 pm

1 Replies

2085 Views

Last post by fanghz
Wed Nov 12, 2008 4:24 am
Charge transfer from Electron Localization Function

Last post by caster29 « Mon Nov 10, 2008 11:03 am
Replies: 1
by caster29 » Wed Nov 05, 2008 2:26 pm

1 Replies

2733 Views

Last post by caster29
Mon Nov 10, 2008 11:03 am
monoclinic optimization

Last post by linglin « Sat Nov 01, 2008 3:11 am
Replies: 1
by linglin » Tue Oct 28, 2008 1:30 am

1 Replies

1531 Views

Last post by linglin
Sat Nov 01, 2008 3:11 am
electrostatic potential, LOCPOT values ?

Last post by rgc « Thu Oct 30, 2008 3:07 pm
Replies: 2
by pmignon » Tue Sep 26, 2006 2:42 pm

2 Replies

3004 Views

Last post by rgc
Thu Oct 30, 2008 3:07 pm
Visualization of surface unit cell.

Last post by Danny « Mon Oct 27, 2008 1:30 pm
Replies: 1
by Sharani » Fri Oct 24, 2008 3:46 am

1 Replies

1915 Views

Last post by Danny
Mon Oct 27, 2008 1:30 pm
how fixe the position of atoms

Last post by rghomari « Thu Oct 23, 2008 6:38 pm
Replies: 2
by rghomari » Wed Oct 22, 2008 11:42 pm

2 Replies

1739 Views

Last post by rghomari
Thu Oct 23, 2008 6:38 pm
bulk modulus

Last post by forsdan « Thu Oct 23, 2008 2:24 pm
Replies: 3
by goja25 » Wed Oct 22, 2008 2:53 pm

3 Replies

7088 Views

Last post by forsdan
Thu Oct 23, 2008 2:24 pm
what does a negative magnetic moment mean in vasp?

Last post by yllovelife « Thu Oct 23, 2008 1:44 pm
Replies: 2
by yllovelife » Tue Oct 21, 2008 2:45 pm

2 Replies

2853 Views

Last post by yllovelife
Thu Oct 23, 2008 1:44 pm
strange occupation

Last post by admin « Thu Oct 23, 2008 10:20 am
Replies: 5
by deltz » Mon Oct 20, 2008 8:45 am

5 Replies

2292 Views

Last post by admin
Thu Oct 23, 2008 10:20 am
Oxygen dimer

Last post by admin « Thu Oct 23, 2008 10:12 am
Replies: 1
by wipper » Wed Oct 22, 2008 11:53 am

1 Replies

1989 Views

Last post by admin
Thu Oct 23, 2008 10:12 am
MD

Last post by admin « Thu Oct 23, 2008 10:04 am
Replies: 3
by fegg7502 » Fri Oct 17, 2008 2:16 am

3 Replies

1731 Views

Last post by admin
Thu Oct 23, 2008 10:04 am
Spin polarized calculations

Last post by magal « Wed Oct 22, 2008 11:08 am
Replies: 2
by magal » Thu Oct 16, 2008 7:33 am

2 Replies

3346 Views

Last post by magal
Wed Oct 22, 2008 11:08 am

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