Using VASP

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convergence problem

Last post by admin « Wed Nov 26, 2008 2:33 pm
Replies: 7
by TAT » Wed Nov 19, 2008 4:27 am

7 Replies

7553 Views

Last post by admin
Wed Nov 26, 2008 2:33 pm
problem with PAW potentials

Last post by admin « Wed Nov 26, 2008 1:40 pm
Replies: 2
by TAT » Wed Nov 19, 2008 7:27 pm

2 Replies

4090 Views

Last post by admin
Wed Nov 26, 2008 1:40 pm
various questions on VASP

Last post by admin « Wed Nov 26, 2008 11:31 am
Replies: 1
by luke419 » Wed Nov 19, 2008 7:18 am

1 Replies

4336 Views

Last post by admin
Wed Nov 26, 2008 11:31 am
NBANDS & LMAXMIX

Last post by admin « Wed Nov 26, 2008 11:06 am
Replies: 1
by TAT » Sun Nov 23, 2008 12:32 am

1 Replies

5327 Views

Last post by admin
Wed Nov 26, 2008 11:06 am
Electric Field step by step???

Last post by lcyin « Tue Nov 25, 2008 8:45 am
Replies: 2
by slavik » Tue Jun 10, 2008 10:19 pm

2 Replies

5903 Views

Last post by lcyin
Tue Nov 25, 2008 8:45 am
FERWE sintaxis

Last post by admin « Thu Nov 20, 2008 4:23 pm
Replies: 1
by bf2204 » Tue Nov 18, 2008 1:22 pm

1 Replies

2912 Views

Last post by admin
Thu Nov 20, 2008 4:23 pm
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

5263 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

6909 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

7135 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

4173 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

6950 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

3707 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

3830 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

4462 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

3671 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

4191 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

2901 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

4616 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

3273 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

3436 Views

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

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