Using VASP

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suggest good reading material for DFT vs GW

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by panda » Fri Dec 18, 2009 12:01 am

1 Replies

2964 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
dipole correction

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by mslee » Thu Dec 17, 2009 9:38 pm

1 Replies

2932 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
Failed to achieve convergence when electric field is switched on

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by vasphys » Tue Feb 09, 2010 2:06 am

1 Replies

4560 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
EFG and NMR shift

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by mmirana » Fri Mar 26, 2010 9:36 pm

1 Replies

3596 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by chemknight » Mon Mar 08, 2010 3:39 am

1 Replies

2711 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Er pseudopotential including f electrons?

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by zzhlax » Mon Nov 30, 2009 3:55 am

1 Replies

3430 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
How to output optic matrix element ?

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by jzzhao » Sat Mar 06, 2010 3:31 am

1 Replies

3794 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Spin Optimization in VASP

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by Modey3 » Sat Nov 28, 2009 7:43 pm

1 Replies

2561 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
VASP utilities on my blog

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by panda » Thu Jan 21, 2010 5:53 pm

1 Replies

3880 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Bond Energy Calculation

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by ttauer » Thu Mar 04, 2010 8:33 pm

1 Replies

3622 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Electric field gradient

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by diawara » Thu Mar 04, 2010 4:12 pm

1 Replies

2633 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
How to calculate the electronic energy level in the potential well?

Last post by support_vasp « Wed Sep 11, 2024 2:12 pm
Replies: 1
by lxbyf » Wed Jan 13, 2010 7:36 am

1 Replies

2625 Views

Last post by support_vasp
Wed Sep 11, 2024 2:12 pm
HF calculations of gamma RDX

Last post by support_vasp « Wed Sep 11, 2024 2:12 pm
Replies: 1
by hungbarca » Thu Feb 18, 2010 6:09 pm

1 Replies

3577 Views

Last post by support_vasp
Wed Sep 11, 2024 2:12 pm
Optical properties for metals

Last post by support_vasp « Wed Sep 11, 2024 2:12 pm
Replies: 1
by irene » Thu Feb 18, 2010 4:26 pm

1 Replies

3029 Views

Last post by support_vasp
Wed Sep 11, 2024 2:12 pm
Problem about coefficients in WAVECAR

Last post by support_vasp « Wed Sep 11, 2024 2:12 pm
Replies: 1
by limaojlu » Mon Dec 28, 2009 5:31 am

1 Replies

2953 Views

Last post by support_vasp
Wed Sep 11, 2024 2:12 pm
Ask for advice (Computational Research of CO oxidation in Au/CeO2 catalyst by using VASP)

Last post by support_vasp « Wed Sep 11, 2024 2:12 pm
Replies: 1
by fendy » Fri Dec 25, 2009 8:03 am

1 Replies

2848 Views

Last post by support_vasp
Wed Sep 11, 2024 2:12 pm
Accurate force-constants by using density functional perturbation theory

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by forsdan » Tue Dec 22, 2009 4:45 pm

1 Replies

4096 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
about PDOS error

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by lfm2008 » Fri Nov 27, 2009 6:08 am

1 Replies

2856 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
Error atfter one step VASP calculation

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by bxcute » Wed Nov 25, 2009 6:53 am

1 Replies

2960 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
how do i calculate force constant matrix

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by ali » Tue Nov 24, 2009 2:17 pm

1 Replies

2557 Views

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

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