Using VASP

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Berry phase polarization calcuation with WARNNING message

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by anthony67 » Mon Nov 26, 2012 3:23 pm

1 Replies

1149 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
Are there any parameters that specify the index of bands on which to evaluate QP corrections?

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by yunhailiseu » Mon Mar 11, 2013 1:45 pm

1 Replies

880 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
LOPTICS vs LEPSILON

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by giacomo giorgi » Tue Apr 30, 2013 12:47 am

1 Replies

982 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
VASP compile for uniaxial tensile stress

Last post by support_vasp « Thu Sep 12, 2024 7:27 am
Replies: 1
by againsmile » Mon Sep 09, 2013 3:32 am

1 Replies

1434 Views

Last post by support_vasp
Thu Sep 12, 2024 7:27 am
Q about E-fermi and HOMO

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by gyldmy » Thu Jan 24, 2013 12:09 pm

1 Replies

931 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
time dependent jobs in vasp 5.3

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by shyam » Sat Sep 07, 2013 10:19 am

1 Replies

1069 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
header of XDATCAR in vasp4.6

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by musharaf » Tue Sep 25, 2012 7:58 am

1 Replies

1009 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
Total energy in the OUTCAR file

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by dilnaazhikodan » Mon Jul 01, 2013 1:09 pm

1 Replies

1165 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
Extend energy range in EIGENVAL files

Last post by support_vasp « Thu Sep 12, 2024 7:26 am
Replies: 1
by 5-1051 » Tue Jul 01, 2014 5:39 pm

1 Replies

955 Views

Last post by support_vasp
Thu Sep 12, 2024 7:26 am
In NEB first image slide back to initial

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by psriv » Fri Apr 17, 2015 4:48 am

1 Replies

1156 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
remove imaginary frequecy

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by charityqi » Tue Nov 18, 2014 10:00 am

1 Replies

1307 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
Pt(111) surface --- Oxygen molecule geometry optimization

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 2
by neogien » Wed Jan 03, 2007 4:29 am

2 Replies

4034 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
The problems about the structures in poscar when appling an external electric field.

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by xinhuanwen » Sun Mar 24, 2013 11:14 am

1 Replies

1224 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
Dispersion corrected DFT calculation for molecules with Au atoms

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by bhaskarchilukuri » Tue Jan 31, 2012 3:33 am

1 Replies

1212 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
self-consistent calculation with high cutoff not running !!

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by rksb_physics » Tue Nov 18, 2014 10:13 am

1 Replies

1215 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
how to set ICHARG for band structure calculation when performing a HSE06 calculation

Last post by support_vasp « Thu Sep 12, 2024 7:25 am
Replies: 1
by icemoon » Mon Sep 23, 2013 3:28 pm

1 Replies

1277 Views

Last post by support_vasp
Thu Sep 12, 2024 7:25 am
Meaning of the LMODELHF = .TRUE. flag

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by ahyla » Fri Aug 29, 2014 6:26 pm

1 Replies

1070 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
Optical Properties

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by hpaudel » Fri Sep 20, 2013 6:22 pm

1 Replies

1227 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
DOS of G0W0 calculation

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by suthirakuns » Fri Jun 28, 2013 12:18 pm

1 Replies

911 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am
Drude term in the calculation of epsilon2

Last post by support_vasp « Thu Sep 12, 2024 7:24 am
Replies: 1
by giacomo giorgi » Fri Jan 10, 2014 11:30 am

1 Replies

1302 Views

Last post by support_vasp
Thu Sep 12, 2024 7:24 am

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