Using VASP

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Born effective charge tensor

Last post by rudra-b « Tue Dec 02, 2008 6:27 am
Replies: 5
by rudra-b » Tue Nov 18, 2008 6:29 am

5 Replies

8218 Views

Last post by rudra-b
Tue Dec 02, 2008 6:27 am
optics error

Last post by linglin « Tue Dec 02, 2008 1:53 am
Replies: 3
by linglin » Sun Nov 30, 2008 9:45 am

3 Replies

4440 Views

Last post by linglin
Tue Dec 02, 2008 1:53 am
Can we use HSE03 or 06 functional

Last post by admin « Mon Dec 01, 2008 1:43 pm
Replies: 1
by simha » Sat Nov 29, 2008 9:57 pm

1 Replies

5385 Views

Last post by admin
Mon Dec 01, 2008 1:43 pm
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

8893 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

4743 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

4965 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

5954 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

6646 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

3469 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

6225 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

8154 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

7789 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

4811 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

7814 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

4379 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

4481 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

5069 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

4369 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

4774 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

3475 Views

Last post by linglin
Sat Nov 01, 2008 3:11 am

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