Using VASP

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dipole correction for charged defect. How?

Last post by support_vasp « Wed Sep 11, 2024 2:06 pm
Replies: 1
by mindflying » Mon Jun 29, 2009 10:43 pm

1 Replies

2780 Views

Last post by support_vasp
Wed Sep 11, 2024 2:06 pm
About the calculation of single Cs atom energy

Last post by support_vasp « Wed Sep 11, 2024 2:05 pm
Replies: 1
by chenweiguang » Thu Jun 25, 2009 2:44 am

1 Replies

1216 Views

Last post by support_vasp
Wed Sep 11, 2024 2:05 pm
GaAs LDA+U

Last post by support_vasp « Wed Sep 11, 2024 2:05 pm
Replies: 1
by giacomo giorgi » Wed Jun 24, 2009 5:49 am

1 Replies

1868 Views

Last post by support_vasp
Wed Sep 11, 2024 2:05 pm
Calculating Formation Energy

Last post by support_vasp « Wed Sep 11, 2024 2:05 pm
Replies: 1
by ey » Mon Jun 22, 2009 1:07 pm

1 Replies

1883 Views

Last post by support_vasp
Wed Sep 11, 2024 2:05 pm
clarifications needed for using AM05 in VASP5

Last post by support_vasp « Wed Sep 11, 2024 2:05 pm
Replies: 1
by prithwish » Fri Jun 19, 2009 9:36 am

1 Replies

1363 Views

Last post by support_vasp
Wed Sep 11, 2024 2:05 pm
Elastic Constant Calculation Time Unusual Long?

Last post by support_vasp « Wed Sep 11, 2024 2:05 pm
Replies: 1
by vinchy » Wed Jun 17, 2009 12:52 am

1 Replies

2159 Views

Last post by support_vasp
Wed Sep 11, 2024 2:05 pm
norm conserving pseudopotentials

Last post by support_vasp « Wed Sep 11, 2024 2:05 pm
Replies: 1
by nvmedhekar » Mon Jun 15, 2009 10:43 pm

1 Replies

2349 Views

Last post by support_vasp
Wed Sep 11, 2024 2:05 pm
Why magnetic moment in OUTCAR and CHGCAR are different ?

Last post by support_vasp « Wed Sep 11, 2024 2:05 pm
Replies: 1
by xfh00 » Sun Aug 09, 2009 8:03 am

1 Replies

1598 Views

Last post by support_vasp
Wed Sep 11, 2024 2:05 pm
Too small ELF values for metallic bulk

Last post by support_vasp « Wed Sep 11, 2024 2:04 pm
Replies: 1
by Tiger-paw » Mon Jul 23, 2007 2:37 am

1 Replies

2020 Views

Last post by support_vasp
Wed Sep 11, 2024 2:04 pm
Density Matrix in VASP

Last post by support_vasp « Wed Sep 11, 2024 2:04 pm
Replies: 1
by boris » Wed Jun 04, 2008 6:38 pm

1 Replies

1541 Views

Last post by support_vasp
Wed Sep 11, 2024 2:04 pm
POSCAR template

Last post by support_vasp « Wed Sep 11, 2024 2:04 pm
Replies: 1
by bluemintsalright » Fri Jul 20, 2007 2:49 pm

1 Replies

1874 Views

Last post by support_vasp
Wed Sep 11, 2024 2:04 pm
PAW-PBE potential

Last post by support_vasp « Wed Sep 11, 2024 2:04 pm
Replies: 1
by bipsan » Tue Feb 05, 2008 5:24 am

1 Replies

2158 Views

Last post by support_vasp
Wed Sep 11, 2024 2:04 pm
How do I calculate lda+U with negative U?

Last post by support_vasp « Wed Sep 11, 2024 2:04 pm
Replies: 1
by leegeunsik » Mon Feb 04, 2008 10:59 pm

1 Replies

1994 Views

Last post by support_vasp
Wed Sep 11, 2024 2:04 pm
On the interpretation of the OUTCAR file from LDA+U with LDAUPRINT=1

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by joseph » Sat May 19, 2007 3:00 am

1 Replies

2116 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
Question about MD & Static temperature

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by ninaj » Mon Feb 04, 2008 1:38 am

1 Replies

1632 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
Geometry Optimization with LDA+U?

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by anin » Wed Apr 02, 2008 1:25 pm

1 Replies

1400 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
LDA + U for different atoms in the same INCAR

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by giacomo giorgi » Wed May 20, 2009 2:54 am

1 Replies

2250 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
help on phase diagrams

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by rajeshc » Sun Jun 14, 2009 1:04 am

1 Replies

1261 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
converge problem of free atom energy calculation for Fe and Ni

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by tracy » Fri Jun 12, 2009 8:31 pm

1 Replies

2415 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
a question on Hubbard model for Gd in Fe

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by prithwish » Sat Jun 06, 2009 6:48 am

1 Replies

1265 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm

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