Using VASP

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HOW to set NFREE for the molecular dynamics simulation?

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by VASP001 » Mon Dec 21, 2009 12:52 pm

1 Replies

1336 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
POTCAR for Polonium?

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by wangfei » Fri Dec 18, 2009 8:12 pm

1 Replies

1312 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
Schottky Barrier calculation in vasp

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by monoj » Tue Mar 30, 2010 2:49 pm

1 Replies

2532 Views

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

1202 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

1111 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

2912 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

1868 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

1088 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

1829 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

2172 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

1000 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

2314 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

1751 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

1047 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

1130 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

1966 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

1347 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

1196 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

1274 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

2340 Views

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

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