Using VASP

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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

4550 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

3094 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

4085 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

4022 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

3322 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

3832 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

3272 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

3566 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

3810 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

3948 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

4033 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

3362 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

3160 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

4055 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

2802 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

4292 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

2871 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
How to set magnetic coupling for empty sphere?

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by aquleo » Thu Jun 04, 2009 4:18 am

1 Replies

2988 Views

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

3496 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

3399 Views

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

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