Using VASP

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version 5.2.2 IR spectrum simulation

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by jbaltrus » Sun May 31, 2009 3:04 am

1 Replies

1888 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
About the KPUSE parameter in Band decomposed chargedensity

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by opvu » Wed May 27, 2009 1:07 pm

1 Replies

1877 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
About band structure

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by kevinyoh » Thu Jun 05, 2008 10:49 am

1 Replies

1400 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
OPTICAL PROERTY

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by pabitrac » Thu Jul 31, 2008 9:03 pm

1 Replies

1476 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
band occupation for Germanium

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by giacomo giorgi » Mon May 25, 2009 3:21 pm

1 Replies

1799 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 2:02 pm
Replies: 1
by fegg7502 » Wed May 13, 2009 2:57 am

1 Replies

1471 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

1612 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

2204 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

1277 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

1378 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

1337 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

1808 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

1407 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

1621 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

1310 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

6276 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

1539 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

1408 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

1315 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

1735 Views

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

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