Using VASP

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Could you help on calculating pressure in MD simulation?

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by jhegedus » Tue Mar 20, 2007 11:35 am

1 Replies

2799 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm
plane wave ordering

Last post by support_vasp « Wed Sep 11, 2024 1:30 pm
Replies: 1
by jhlee » Tue Mar 13, 2007 7:15 pm

1 Replies

2655 Views

Last post by support_vasp
Wed Sep 11, 2024 1:30 pm
total drift with external E-field

Last post by support_vasp « Wed Sep 11, 2024 1:30 pm
Replies: 1
by yilmaz » Sun Mar 11, 2007 6:05 pm

1 Replies

2895 Views

Last post by support_vasp
Wed Sep 11, 2024 1:30 pm
COOP calculation

Last post by support_vasp « Wed Sep 11, 2024 1:30 pm
Replies: 1
by Tian » Tue Nov 14, 2006 5:28 am

1 Replies

3384 Views

Last post by support_vasp
Wed Sep 11, 2024 1:30 pm
VOSKOWN

Last post by support_vasp « Wed Sep 11, 2024 1:30 pm
Replies: 1
by proffess » Wed Nov 08, 2006 2:53 am

1 Replies

3014 Views

Last post by support_vasp
Wed Sep 11, 2024 1:30 pm
Can use Berry Phase method with charged enviroment?

Last post by support_vasp « Wed Sep 11, 2024 1:30 pm
Replies: 1
by okuno » Thu May 25, 2006 12:15 pm

1 Replies

3944 Views

Last post by support_vasp
Wed Sep 11, 2024 1:30 pm
difference between CC and MP

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by kanhere » Thu Jan 18, 2007 6:30 pm

1 Replies

3177 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
Simulated Annealing

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by nishant » Mon Oct 16, 2006 5:00 pm

1 Replies

3265 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
Optimization and energy calculation of a charged diatomic molecule.

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by Sharani » Thu Oct 12, 2006 4:42 pm

1 Replies

3629 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
L(S)DA+U

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by atreyee » Thu Jan 11, 2007 8:01 am

1 Replies

2959 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
How to calculate plasma frequency.

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by Jiaye Li » Thu Jan 11, 2007 12:35 pm

1 Replies

3730 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
project DOS onto general states

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by lorenz » Wed Oct 11, 2006 2:27 pm

1 Replies

3573 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
VACF and vibrationa power spectrum

Last post by support_vasp « Wed Sep 11, 2024 1:29 pm
Replies: 1
by jcarrasco » Tue Oct 03, 2006 7:07 pm

1 Replies

3533 Views

Last post by support_vasp
Wed Sep 11, 2024 1:29 pm
Parsing of augmentation charges on CHGCAR file

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by salva » Fri Jan 05, 2007 4:16 pm

1 Replies

3017 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
script for energy loss near edge structure in eels

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by yangmino » Tue Jan 02, 2007 1:51 pm

1 Replies

3539 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
MEPs calculations with NEB

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by dwyuan » Sun Jun 04, 2006 5:43 am

1 Replies

3720 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
U and J parameters in LDA+U

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by pankajnerikar » Thu Jul 20, 2006 2:20 pm

1 Replies

3664 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
Calculation of S^2...

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by jlrch » Wed Oct 12, 2005 10:05 am

1 Replies

5366 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
Negatively charged slab adsorbate system - is it a problem?

Last post by support_vasp « Wed Sep 11, 2024 1:28 pm
Replies: 1
by kp » Sun May 21, 2006 11:06 pm

1 Replies

4160 Views

Last post by support_vasp
Wed Sep 11, 2024 1:28 pm
DFT Accuracy for Adsorption Energies

Last post by support_vasp « Wed Sep 11, 2024 1:27 pm
Replies: 1
by grassman » Thu Jul 06, 2006 9:58 pm

1 Replies

3854 Views

Last post by support_vasp
Wed Sep 11, 2024 1:27 pm

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