Using VASP

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understanding the PROCAR file

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by gjenness » Wed Sep 19, 2012 6:10 pm

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3677 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
GW calculation- ALGO=exact

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by monazam » Fri Aug 02, 2013 6:20 pm

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3003 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
Rotational temperature

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by siddarth1753 » Tue Sep 03, 2013 6:47 pm

1 Replies

2466 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
Problem about calculating CO adsorption

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by feng_gao » Tue Sep 03, 2013 9:59 pm

1 Replies

2616 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
How to calculate the Inelastic Electron Tunneling Spectroscopy (IETS) in VASP

Last post by support_vasp « Thu Sep 12, 2024 7:35 am
Replies: 1
by rockhardway » Wed Sep 04, 2013 9:24 am

1 Replies

2431 Views

Last post by support_vasp
Thu Sep 12, 2024 7:35 am
Formation Energy of Cr2O3

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by superyoyo » Sat Nov 12, 2011 11:48 am

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3367 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
metagga M06L problem

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by hundred » Thu Apr 19, 2012 3:25 pm

1 Replies

3284 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
What magnetization(x) will give in OUTCAR file. Is it total magnetic moment?

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by sunny » Thu Sep 20, 2012 12:35 pm

1 Replies

2892 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
How to set DIPOL?

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by fanzhen » Sat Nov 12, 2011 3:28 pm

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2940 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
different electric field has same results

Last post by support_vasp « Thu Sep 12, 2024 7:34 am
Replies: 1
by zhu » Sat Jun 14, 2014 5:36 pm

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2871 Views

Last post by support_vasp
Thu Sep 12, 2024 7:34 am
errors in calculation of electron localization function(ELFCAR)

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by bighunter » Sat Jun 14, 2014 6:44 am

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2940 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
How to choose the POTCAR for mBJ calculation?

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by hol28 » Fri Jun 13, 2014 8:37 am

1 Replies

2950 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
Recipe for effective masses calculations

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by hat » Thu Jun 12, 2014 2:02 pm

1 Replies

2838 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
augmentation occupancy

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by freshwind » Mon Aug 05, 2013 3:53 pm

1 Replies

2976 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
Dispersion Coefficient

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by mahmud » Wed Nov 14, 2012 5:47 pm

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2506 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
printing out partial magnetization in spin-polarized hybrid calc

Last post by support_vasp « Thu Sep 12, 2024 7:33 am
Replies: 1
by md » Thu Nov 10, 2011 3:50 pm

1 Replies

2933 Views

Last post by support_vasp
Thu Sep 12, 2024 7:33 am
MD for icosahedron

Last post by support_vasp « Thu Sep 12, 2024 7:32 am
Replies: 1
by M Dave » Mon Jan 21, 2013 2:35 pm

1 Replies

2525 Views

Last post by support_vasp
Thu Sep 12, 2024 7:32 am
DFT+U

Last post by support_vasp « Thu Sep 12, 2024 7:32 am
Replies: 1
by SKS » Sun Aug 04, 2013 5:35 pm

1 Replies

2655 Views

Last post by support_vasp
Thu Sep 12, 2024 7:32 am
Cell optimization and atomic relaxation

Last post by support_vasp « Thu Sep 12, 2024 7:32 am
Replies: 1
by Lian » Thu Apr 25, 2013 3:29 pm

1 Replies

2773 Views

Last post by support_vasp
Thu Sep 12, 2024 7:32 am
L(S)DA Pseudopotential

Last post by support_vasp « Thu Sep 12, 2024 7:32 am
Replies: 1
by assari10 » Mon Mar 05, 2012 10:03 am

1 Replies

2657 Views

Last post by support_vasp
Thu Sep 12, 2024 7:32 am

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