Using VASP

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SMASS>=0 for Nose mass control

Last post by support_vasp « Wed Sep 11, 2024 1:26 pm
Replies: 1
by zlch5 » Tue Apr 18, 2006 4:37 pm

1 Replies

3796 Views

Last post by support_vasp
Wed Sep 11, 2024 1:26 pm
(To the developers of Vasp) External electric fields-testing systems ?

Last post by support_vasp « Wed Sep 11, 2024 1:26 pm
Replies: 1
by OPonomarenko » Mon Nov 14, 2005 1:21 am

1 Replies

4513 Views

Last post by support_vasp
Wed Sep 11, 2024 1:26 pm
spin orbit & LDA+U for f-electrons

Last post by support_vasp « Wed Sep 11, 2024 1:26 pm
Replies: 1
by windiks » Mon Jul 04, 2005 8:30 pm

1 Replies

5708 Views

Last post by support_vasp
Wed Sep 11, 2024 1:26 pm
how to calculate Potential energy surface?

Last post by support_vasp « Wed Sep 11, 2024 1:26 pm
Replies: 1
by Brane » Fri Oct 28, 2005 3:35 am

1 Replies

5180 Views

Last post by support_vasp
Wed Sep 11, 2024 1:26 pm
a pseudopotential without scalar relativistics effect?

Last post by support_vasp « Wed Sep 11, 2024 1:26 pm
Replies: 1
by zj » Sun Jan 22, 2006 8:29 am

1 Replies

3591 Views

Last post by support_vasp
Wed Sep 11, 2024 1:26 pm
Extracting COOP information from a PROOUT file

Last post by support_vasp « Wed Sep 11, 2024 1:25 pm
Replies: 1
by biklooost » Fri Jun 17, 2005 9:55 pm

1 Replies

6060 Views

Last post by support_vasp
Wed Sep 11, 2024 1:25 pm
How to calculate thermal conductivity in VASP?

Last post by support_vasp « Wed Sep 11, 2024 1:25 pm
Replies: 1
by user » Fri May 20, 2005 11:55 pm

1 Replies

24235 Views

Last post by support_vasp
Wed Sep 11, 2024 1:25 pm
intensity calculations?

Last post by support_vasp « Wed Sep 11, 2024 1:25 pm
Replies: 1
by cpopa » Wed Aug 17, 2005 2:57 pm

1 Replies

4540 Views

Last post by support_vasp
Wed Sep 11, 2024 1:25 pm
COOP

Last post by support_vasp « Wed Sep 11, 2024 1:25 pm
Replies: 1
by shein » Mon Apr 18, 2005 8:50 am

1 Replies

8941 Views

Last post by support_vasp
Wed Sep 11, 2024 1:25 pm
DIPOLE Correction and dielectric constant

Last post by support_vasp « Wed Sep 11, 2024 1:25 pm
Replies: 1
by bruent » Fri Aug 12, 2005 6:26 am

1 Replies

5884 Views

Last post by support_vasp
Wed Sep 11, 2024 1:25 pm
L(S)DA+U

Last post by support_vasp « Wed Sep 11, 2024 1:25 pm
Replies: 1
by Veronika » Thu Mar 24, 2005 2:52 pm

1 Replies

9122 Views

Last post by support_vasp
Wed Sep 11, 2024 1:25 pm
energy drift magnitude in ab initio molecular dynamics

Last post by support_vasp « Wed Sep 11, 2024 1:25 pm
Replies: 1
by fra » Sun Jul 24, 2005 2:46 pm

1 Replies

6146 Views

Last post by support_vasp
Wed Sep 11, 2024 1:25 pm
Strange Output

Last post by support_vasp « Wed Sep 11, 2024 1:24 pm
Replies: 1
by des » Fri Nov 25, 2005 8:24 pm

1 Replies

4179 Views

Last post by support_vasp
Wed Sep 11, 2024 1:24 pm
How is the "force on cell" calculated

Last post by support_vasp « Wed Sep 11, 2024 1:24 pm
Replies: 1
by Tamidor » Wed Feb 02, 2005 9:43 am

1 Replies

11412 Views

Last post by support_vasp
Wed Sep 11, 2024 1:24 pm
Plot the charge density using p4vasp and other question

Last post by support_vasp « Wed Sep 11, 2024 1:24 pm
Replies: 1
by shmily » Tue Jul 19, 2005 1:37 am

1 Replies

5946 Views

Last post by support_vasp
Wed Sep 11, 2024 1:24 pm
Vibrations Spectrum

Last post by support_vasp « Wed Sep 11, 2024 1:24 pm
Replies: 1
by hema » Wed Nov 23, 2005 11:59 am

1 Replies

4391 Views

Last post by support_vasp
Wed Sep 11, 2024 1:24 pm
Plot the charge densuty using p4vasp and other questions

Last post by support_vasp « Wed Sep 11, 2024 1:24 pm
Replies: 1
by shmily » Wed Jul 13, 2005 2:36 pm

1 Replies

5390 Views

Last post by support_vasp
Wed Sep 11, 2024 1:24 pm
How to calculate the frequency of transition state (NEB) calculations?

Last post by marie-therese.huebsch « Wed Sep 11, 2024 6:07 am
Replies: 1
by liaqat_ali » Tue Sep 10, 2024 3:09 pm

1 Replies

394 Views

Last post by marie-therese.huebsch
Wed Sep 11, 2024 6:07 am
Error in MD annealing simulation with ML potential

Last post by renjie_chen1 « Tue Sep 10, 2024 1:59 pm
Replies: 12
by renjie_chen1 » Mon Sep 09, 2024 7:45 am

12 Replies

1425 Views

Last post by renjie_chen1
Tue Sep 10, 2024 1:59 pm
Which Tag is used for RELAXED ION PIEZOELECTRIC COEFFICIENTS?????

Last post by marie-therese.huebsch « Tue Sep 10, 2024 12:09 pm
Replies: 1
by asgharali_jan » Tue Sep 10, 2024 10:59 am

1 Replies

237 Views

Last post by marie-therese.huebsch
Tue Sep 10, 2024 12:09 pm

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