Using VASP

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pressure

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by chemical02 » Wed Sep 17, 2008 7:36 pm

1 Replies

2448 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
Breaking of solvent molecules

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by helvetico » Wed Sep 17, 2008 2:35 pm

1 Replies

2890 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
Ion charge

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by wcwang » Sun Sep 14, 2008 7:01 pm

1 Replies

2580 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
GGA+U in VASP

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by xwsha » Wed Sep 10, 2008 7:50 pm

1 Replies

2898 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
How to find the lattice parameters for monoclinic?

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by magnones » Sat May 26, 2007 10:40 pm

1 Replies

3569 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
How to caculate the dehydration process with MD

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

1 Replies

2357 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

2916 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

2806 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

2725 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

2690 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

2658 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

2998 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
Replies: 1
by fullerene » Fri Aug 15, 2008 4:08 pm

1 Replies

3950 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

4887 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

3136 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

2704 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

2778 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

3375 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

2520 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

2596 Views

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

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