Using VASP

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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

3978 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

3715 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

2710 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

2679 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

3652 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

3109 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

3041 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

2922 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

4210 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

2930 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

3036 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

2633 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
Why doesn't LORBIT=2 give me phase factors?

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by wangfei » Tue Nov 17, 2009 10:10 pm

1 Replies

3125 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
about magnetization in spin-orbit calculations

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by stoney » Tue Nov 17, 2009 3:14 am

1 Replies

2739 Views

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

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by cindy » Thu Nov 12, 2009 3:17 am

1 Replies

2835 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
Calculate the DOS with B3LYP ?

Last post by support_vasp « Wed Sep 11, 2024 2:11 pm
Replies: 1
by VASP001 » Wed Nov 11, 2009 4:36 pm

1 Replies

2932 Views

Last post by support_vasp
Wed Sep 11, 2024 2:11 pm
force in NEB calculation

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by xianfeng » Wed Nov 11, 2009 8:46 am

1 Replies

2967 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
kpoint grid commensurate with lattice

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by tholme » Tue Nov 10, 2009 11:35 pm

1 Replies

3361 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
question about MD

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by ouuing » Tue Nov 10, 2009 2:51 pm

1 Replies

2871 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm
MP2 calculations

Last post by support_vasp « Wed Sep 11, 2024 2:10 pm
Replies: 1
by pepsi » Mon Nov 02, 2009 6:20 pm

1 Replies

3304 Views

Last post by support_vasp
Wed Sep 11, 2024 2:10 pm

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