Using VASP

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How can i compute the overlap of VBM and CBM?

Last post by support_vasp « Wed Sep 11, 2024 2:15 pm
Replies: 1
by matt.ss » Thu Apr 22, 2010 11:24 am

1 Replies

2174 Views

Last post by support_vasp
Wed Sep 11, 2024 2:15 pm
PROCAR file

Last post by support_vasp « Wed Sep 11, 2024 2:15 pm
Replies: 1
by asaaravindh » Wed Apr 21, 2010 9:41 am

1 Replies

2086 Views

Last post by support_vasp
Wed Sep 11, 2024 2:15 pm
Kpoints and DOS Calculation

Last post by support_vasp « Wed Sep 11, 2024 2:15 pm
Replies: 1
by sch28181 » Fri Feb 19, 2010 3:55 am

1 Replies

2852 Views

Last post by support_vasp
Wed Sep 11, 2024 2:15 pm
Linear response calculations

Last post by support_vasp « Wed Sep 11, 2024 2:15 pm
Replies: 1
by boris » Thu Feb 18, 2010 4:44 pm

1 Replies

2554 Views

Last post by support_vasp
Wed Sep 11, 2024 2:15 pm
HF orbital splitting

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by wcwang » Thu Apr 01, 2010 5:03 pm

1 Replies

2059 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
Non-selfconsistent calculation with arbitrary charge density

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by ferdl » Thu Feb 11, 2010 10:11 am

1 Replies

2284 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
HOW to set NFREE for the molecular dynamics simulation?

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by VASP001 » Mon Dec 21, 2009 12:52 pm

1 Replies

2127 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
POTCAR for Polonium?

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by wangfei » Fri Dec 18, 2009 8:12 pm

1 Replies

2036 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
Schottky Barrier calculation in vasp

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by monoj » Tue Mar 30, 2010 2:49 pm

1 Replies

3528 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
suggest good reading material for DFT vs GW

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by panda » Fri Dec 18, 2009 12:01 am

1 Replies

2093 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
dipole correction

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by mslee » Thu Dec 17, 2009 9:38 pm

1 Replies

1934 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
Failed to achieve convergence when electric field is switched on

Last post by support_vasp « Wed Sep 11, 2024 2:14 pm
Replies: 1
by vasphys » Tue Feb 09, 2010 2:06 am

1 Replies

3622 Views

Last post by support_vasp
Wed Sep 11, 2024 2:14 pm
EFG and NMR shift

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by mmirana » Fri Mar 26, 2010 9:36 pm

1 Replies

2742 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by chemknight » Mon Mar 08, 2010 3:39 am

1 Replies

1852 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Er pseudopotential including f electrons?

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by zzhlax » Mon Nov 30, 2009 3:55 am

1 Replies

2604 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
How to output optic matrix element ?

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by jzzhao » Sat Mar 06, 2010 3:31 am

1 Replies

2945 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Spin Optimization in VASP

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by Modey3 » Sat Nov 28, 2009 7:43 pm

1 Replies

1746 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
VASP utilities on my blog

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by panda » Thu Jan 21, 2010 5:53 pm

1 Replies

3041 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Bond Energy Calculation

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by ttauer » Thu Mar 04, 2010 8:33 pm

1 Replies

2738 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm
Electric field gradient

Last post by support_vasp « Wed Sep 11, 2024 2:13 pm
Replies: 1
by diawara » Thu Mar 04, 2010 4:12 pm

1 Replies

1795 Views

Last post by support_vasp
Wed Sep 11, 2024 2:13 pm

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