Using VASP

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problem about berryphase term in calculation of ferroelectric polarization

Last post by support_vasp « Thu Sep 12, 2024 8:13 am
Replies: 1
by JuntingZhang » Tue Dec 13, 2011 4:31 pm

1 Replies

1180 Views

Last post by support_vasp
Thu Sep 12, 2024 8:13 am
ELFCAR not correct

Last post by support_vasp « Thu Sep 12, 2024 8:13 am
Replies: 1
by rjz9 » Mon Jun 04, 2012 8:57 pm

1 Replies

1321 Views

Last post by support_vasp
Thu Sep 12, 2024 8:13 am
Does VASP5 take into account the intraband transition for optics?

Last post by support_vasp « Thu Sep 12, 2024 8:12 am
Replies: 1
by KurtG » Tue Dec 13, 2011 7:27 pm

1 Replies

1232 Views

Last post by support_vasp
Thu Sep 12, 2024 8:12 am
NPAR and NSIM

Last post by support_vasp « Thu Sep 12, 2024 8:12 am
Replies: 1
by vasp_user » Sun Apr 01, 2012 7:47 am

1 Replies

1187 Views

Last post by support_vasp
Thu Sep 12, 2024 8:12 am
DIPOL by default

Last post by support_vasp « Thu Sep 12, 2024 8:12 am
Replies: 1
by hypnos » Thu Jun 07, 2012 7:58 pm

1 Replies

1208 Views

Last post by support_vasp
Thu Sep 12, 2024 8:12 am
Molecular dynamic of Si with NPT ensemble

Last post by support_vasp « Thu Sep 12, 2024 8:12 am
Replies: 1
by s9811016 » Tue Jun 14, 2011 3:00 pm

1 Replies

1936 Views

Last post by support_vasp
Thu Sep 12, 2024 8:12 am
atomic stress output in MD

Last post by support_vasp « Thu Sep 12, 2024 8:12 am
Replies: 1
by luke419 » Wed Aug 29, 2012 11:14 am

1 Replies

1044 Views

Last post by support_vasp
Thu Sep 12, 2024 8:12 am
spin-orbit interactions and spin-polarized

Last post by support_vasp « Thu Sep 12, 2024 8:12 am
Replies: 1
by rex881026 » Wed Jul 18, 2012 10:45 am

1 Replies

1041 Views

Last post by support_vasp
Thu Sep 12, 2024 8:12 am
positive energy with HSE calculation on metal slab

Last post by support_vasp « Thu Sep 12, 2024 8:11 am
Replies: 1
by jo_201 » Wed Dec 14, 2011 11:33 pm

1 Replies

1438 Views

Last post by support_vasp
Thu Sep 12, 2024 8:11 am
K-point mesh density around Fermi energy

Last post by support_vasp « Thu Sep 12, 2024 8:11 am
Replies: 1
by darshw » Tue Oct 25, 2011 9:51 am

1 Replies

1158 Views

Last post by support_vasp
Thu Sep 12, 2024 8:11 am
PSTRESS setting

Last post by support_vasp « Thu Sep 12, 2024 8:11 am
Replies: 1
by wjfriend » Thu Feb 16, 2012 11:05 am

1 Replies

1381 Views

Last post by support_vasp
Thu Sep 12, 2024 8:11 am
Positive energy for hybrid calculations of magnetic cluster

Last post by support_vasp « Thu Sep 12, 2024 8:11 am
Replies: 1
by GGAsara » Sat Feb 18, 2012 8:01 pm

1 Replies

1201 Views

Last post by support_vasp
Thu Sep 12, 2024 8:11 am
values of wavefunctions on grid

Last post by support_vasp « Thu Sep 12, 2024 8:11 am
Replies: 1
by chris_a » Sun Sep 02, 2012 12:24 am

1 Replies

830 Views

Last post by support_vasp
Thu Sep 12, 2024 8:11 am
E-fermi changes a lot !

Last post by support_vasp « Thu Sep 12, 2024 8:11 am
Replies: 1
by prithwish » Wed Jun 06, 2012 1:52 am

1 Replies

1097 Views

Last post by support_vasp
Thu Sep 12, 2024 8:11 am
LEPSILON calculation for Au bulk

Last post by support_vasp « Thu Sep 12, 2024 8:11 am
Replies: 1
by ntuxi » Sun Dec 18, 2011 11:58 am

1 Replies

1265 Views

Last post by support_vasp
Thu Sep 12, 2024 8:11 am
Berry-phase calculation of Polarization with strain

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by ynwu » Thu Jun 16, 2011 2:25 am

1 Replies

1353 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
Misplaced Fermi Level

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by gVallverdu » Fri Feb 17, 2012 12:32 pm

1 Replies

1373 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
conversion from cartesian in poscar to direct in contcar

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by leostorm10 » Thu Apr 05, 2012 9:21 am

1 Replies

2768 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
Broken symmetry in PDOS

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by hfruchtl » Wed Oct 26, 2011 1:37 pm

1 Replies

1307 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am
Diploe correction

Last post by support_vasp « Thu Sep 12, 2024 8:10 am
Replies: 1
by kambiz » Thu Jun 07, 2012 7:33 am

1 Replies

1086 Views

Last post by support_vasp
Thu Sep 12, 2024 8:10 am

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