Using VASP

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How to caculate the dehydration process with MD

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
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by fegg7502 » Wed Oct 15, 2008 3:39 am

1 Replies

2609 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
fat bands

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by Debbichi » Thu Jul 17, 2008 8:21 pm

1 Replies

3215 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
What is Tr[quadrupol]?

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by zlch5 » Sat Jul 12, 2008 1:58 am

1 Replies

3098 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
POSCAR and CONTCAR difference

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by odkhuu » Mon Sep 08, 2008 12:08 pm

1 Replies

3094 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
Fixed spin calculation for Antiferromagnetic

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by againsmile » Thu Sep 04, 2008 7:56 pm

1 Replies

2955 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
A few questions about using the LDA+U method to get the right band gap

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by xiaogai » Thu Sep 04, 2008 1:25 pm

1 Replies

3003 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
QSPIRAL setting

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by againsmile » Thu Sep 04, 2008 3:06 am

1 Replies

3265 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
NELECT. How many electrons?

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
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by fullerene » Fri Aug 15, 2008 4:08 pm

1 Replies

4268 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
volume relaxation

Last post by support_vasp « Wed Sep 11, 2024 1:45 pm
Replies: 1
by saswata » Mon Jul 30, 2007 2:30 am

1 Replies

5264 Views

Last post by support_vasp
Wed Sep 11, 2024 1:45 pm
The flag "spring" in NED method

Last post by support_vasp « Wed Sep 11, 2024 1:45 pm
Replies: 1
by weizz » Mon Jul 30, 2007 2:04 am

1 Replies

3375 Views

Last post by support_vasp
Wed Sep 11, 2024 1:45 pm
Is adiabatic corrections included in VASP?

Last post by support_vasp « Wed Sep 11, 2024 1:45 pm
Replies: 1
by zlch5 » Mon Feb 11, 2008 9:33 pm

1 Replies

2960 Views

Last post by support_vasp
Wed Sep 11, 2024 1:45 pm
fat bands using euler angle

Last post by support_vasp « Wed Sep 11, 2024 1:45 pm
Replies: 1
by vikaskashid » Wed Aug 06, 2008 10:13 am

1 Replies

3011 Views

Last post by support_vasp
Wed Sep 11, 2024 1:45 pm
DOS and partial charge density do not agree with each other

Last post by support_vasp « Wed Sep 11, 2024 1:45 pm
Replies: 1
by nus11 » Fri May 23, 2008 2:22 am

1 Replies

3628 Views

Last post by support_vasp
Wed Sep 11, 2024 1:45 pm
Charge-state effect

Last post by support_vasp « Wed Sep 11, 2024 1:45 pm
Replies: 1
by Amit » Thu Jul 10, 2008 6:11 pm

1 Replies

2799 Views

Last post by support_vasp
Wed Sep 11, 2024 1:45 pm
Consultation

Last post by support_vasp « Wed Sep 11, 2024 1:45 pm
Replies: 1
by xinhuanwen » Sat May 17, 2008 12:17 pm

1 Replies

2840 Views

Last post by support_vasp
Wed Sep 11, 2024 1:45 pm
PAW and Lattice Parameters

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by tommy91779 » Wed Jul 09, 2008 3:15 am

1 Replies

2800 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
fermi velocity of graphene from bandstructure

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
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by nus11 » Tue Jul 08, 2008 12:17 am

1 Replies

5238 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
LSDA+U: diagonal elements of the density matrix are larger than 1.0

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by xianghjun » Tue May 13, 2008 2:19 pm

1 Replies

3024 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
a strange quesion about occupation

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by njuxyh » Thu Jul 03, 2008 7:45 am

1 Replies

3048 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
LDA+U CoO insulator problem

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by yvetteh » Tue Jul 01, 2008 3:38 pm

1 Replies

3007 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm

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