Using VASP

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How to set POTIM in molecular dynamics simulations

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by fegg7502 » Wed May 13, 2009 2:57 am

1 Replies

2599 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
How to set POTIM in molecular dynamics simulations

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by fegg7502 » Wed May 13, 2009 2:52 am

1 Replies

2720 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
Silicon Band Structure around Gamma point

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by twendler » Mon May 11, 2009 6:09 pm

1 Replies

3251 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
LDA+U for GaAs

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by giacomo giorgi » Mon May 11, 2009 12:27 pm

1 Replies

2352 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
order of f orbitals in DOSCAR

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by wellsdm » Sat May 09, 2009 12:41 am

1 Replies

2424 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
Restarting a job using the WAVECAR file

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by boris » Thu May 07, 2009 1:31 pm

1 Replies

2403 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
Nonconverging electronic minimization for specific magnetic systems

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by alexeydick » Mon May 04, 2009 8:13 am

1 Replies

2899 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
Underestimated heat of formation

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by shurab » Fri May 01, 2009 9:20 pm

1 Replies

2550 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
Did any one calculate phonon dispersion of InAs?

Last post by support_vasp « Wed Sep 11, 2024 2:00 pm
Replies: 1
by LM » Mon Apr 20, 2009 2:13 am

1 Replies

2802 Views

Last post by support_vasp
Wed Sep 11, 2024 2:00 pm
electronic convergence problem using GGA

Last post by support_vasp « Wed Sep 11, 2024 2:00 pm
Replies: 1
by luke419 » Sun Apr 19, 2009 12:34 am

1 Replies

2488 Views

Last post by support_vasp
Wed Sep 11, 2024 2:00 pm
band structure of graphene

Last post by support_vasp « Wed Sep 11, 2024 2:00 pm
Replies: 1
by sergio » Fri Apr 17, 2009 7:07 pm

1 Replies

7630 Views

Last post by support_vasp
Wed Sep 11, 2024 2:00 pm
vasp calculate frequency of iodine

Last post by support_vasp « Wed Sep 11, 2024 1:59 pm
Replies: 1
by botaoteng » Fri Apr 17, 2009 2:45 am

1 Replies

2775 Views

Last post by support_vasp
Wed Sep 11, 2024 1:59 pm
How to interpret EGEINVAL for Spin Orbit Coupling calculation

Last post by support_vasp « Wed Sep 11, 2024 1:59 pm
Replies: 1
by hatdau » Thu Apr 16, 2009 5:12 pm

1 Replies

2543 Views

Last post by support_vasp
Wed Sep 11, 2024 1:59 pm
Creation of Inputs

Last post by support_vasp « Wed Sep 11, 2024 1:59 pm
Replies: 1
by Oscar_rp » Thu Apr 16, 2009 9:10 am

1 Replies

2587 Views

Last post by support_vasp
Wed Sep 11, 2024 1:59 pm
IDIPOL=3

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by jelenajelic » Thu Apr 16, 2009 8:32 am

1 Replies

2940 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
How the electrostatic potentail was calculated in VASP?

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by azaho » Fri Apr 10, 2009 7:40 pm

1 Replies

2476 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
DIFFICULT TO GET A CORRECT INTERPRETATION - CHARGED DEFECTS

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by giacomo giorgi » Fri Apr 03, 2009 3:10 am

1 Replies

2966 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
stress vs. energy

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by netscape88 » Tue Mar 31, 2009 4:25 pm

1 Replies

3198 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
How can I calculate the ground state energy levels for Fe atom

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by spakinfo » Tue Mar 31, 2009 9:23 am

1 Replies

2846 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
query about calculation of magnetic moments

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by Neha Kapila » Mon Mar 30, 2009 11:31 am

1 Replies

2556 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm

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