Using VASP

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Setting for trigonal (P-3m1, 164) for elastic constant calculation

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by babaleo » Wed Nov 17, 2010 1:52 pm

1 Replies

2986 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
How to simulate XPS by using VASP.

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by ljx2009 » Sun Nov 14, 2010 1:50 pm

1 Replies

3537 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
Si(111) surface

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by Oscar_rp » Thu May 27, 2010 10:40 am

1 Replies

3161 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
p4vasp - molecule geometry

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by benzoic acid » Wed Sep 29, 2010 10:31 am

1 Replies

3471 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
VBM for indirect gap material

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by mamini » Wed Sep 29, 2010 9:47 am

1 Replies

2931 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
band structure

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by apple » Tue Sep 28, 2010 3:11 am

1 Replies

3032 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
ERROR from PRICEL

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by okuno » Wed Sep 22, 2010 8:36 am

1 Replies

3753 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
For charged molecule relaxation, dipole correction is needed?

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by cenwanglai » Tue Sep 21, 2010 6:45 am

1 Replies

3468 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Negative DOS and ISMEAR=-5

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by limkr » Mon Sep 20, 2010 7:33 pm

1 Replies

3640 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Basic question

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by susantt » Mon Sep 13, 2010 12:07 am

1 Replies

3010 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
the dissociation energy

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by yidiandian1981 » Fri Sep 10, 2010 8:36 am

1 Replies

2878 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Restart only from CONTCAR (NO WAVECAR)

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by giacomo giorgi » Fri Sep 10, 2010 8:24 am

1 Replies

3414 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
HSE optics calculation, heavy element having f electrons

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by tilak » Thu Sep 09, 2010 2:24 pm

1 Replies

2974 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
About POMASS in a Simulated annealing run

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by yjwang » Wed Sep 08, 2010 1:48 pm

1 Replies

3264 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
EFIELD

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by pramanikanup » Tue Sep 07, 2010 1:01 pm

1 Replies

3399 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Translation of the charge density

Last post by support_vasp « Wed Sep 11, 2024 2:26 pm
Replies: 1
by torehan » Fri Aug 27, 2010 10:02 pm

1 Replies

13005 Views

Last post by support_vasp
Wed Sep 11, 2024 2:26 pm
how could I calculator the Hg without d electrons

Last post by support_vasp « Wed Sep 11, 2024 2:26 pm
Replies: 1
by zhaohuxian » Thu Aug 26, 2010 2:44 am

1 Replies

2869 Views

Last post by support_vasp
Wed Sep 11, 2024 2:26 pm
What pseudopential should I use if i want to do meta-GGA calculation?

Last post by support_vasp « Wed Sep 11, 2024 2:26 pm
Replies: 1
by ynwu » Tue Aug 24, 2010 9:01 pm

1 Replies

2871 Views

Last post by support_vasp
Wed Sep 11, 2024 2:26 pm
LSDA+U calculation

Last post by support_vasp « Wed Sep 11, 2024 2:26 pm
Replies: 1
by Santub » Mon Aug 23, 2010 4:32 pm

1 Replies

2934 Views

Last post by support_vasp
Wed Sep 11, 2024 2:26 pm
How to get projector functions?

Last post by support_vasp « Wed Sep 11, 2024 2:26 pm
Replies: 1
by jhuatuci » Mon Aug 23, 2010 5:04 am

1 Replies

2736 Views

Last post by support_vasp
Wed Sep 11, 2024 2:26 pm

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