Using VASP

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About spin-orbit coupling: ERROR while reading WAVECAR, plane wave coefficients changed

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by gbliu » Tue Aug 30, 2011 3:07 pm

1 Replies

6843 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
How to calculate the PDOS by USPP

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by yiranwang » Fri Aug 26, 2011 5:49 am

1 Replies

956 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
Question regarding LCALCPOL

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by dmazumdar » Mon Aug 22, 2011 9:39 pm

1 Replies

2054 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
C-type antiferromagnetism

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by with3534 » Fri Aug 19, 2011 10:02 am

1 Replies

1421 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
About equilibrium volume, which scheme is more reasonable?

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by gbliu » Thu Aug 18, 2011 11:03 pm

1 Replies

1134 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
cell volume not relax

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by tragody » Thu Aug 18, 2011 1:35 am

1 Replies

933 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
gradients with and without vdw correction

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by asaf » Mon Aug 15, 2011 5:33 pm

1 Replies

855 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
selective dynamics problem

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by izumikonata » Sat Aug 13, 2011 12:43 am

1 Replies

852 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
vdW-DF calculation problem

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by minglei288 » Fri Aug 12, 2011 7:36 pm

1 Replies

1498 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
Plotting a 3D Fermi surface

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by aftab » Fri Aug 12, 2011 2:53 am

1 Replies

1512 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
What's the meaning of the "*c"term in the OUTCAR of berry phase calculations

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by zhangsg » Thu Aug 11, 2011 12:20 pm

1 Replies

835 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
PBE0 and forced occupation

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by emily.t » Wed Aug 10, 2011 7:38 pm

1 Replies

867 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
Dielectric Constant

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by mayankaditya » Wed May 18, 2011 12:48 pm

1 Replies

1126 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
modified Becke-Johnson potential

Last post by support_vasp « Wed Sep 11, 2024 2:43 pm
Replies: 1
by lamoen » Wed Jun 22, 2011 10:53 pm

1 Replies

1327 Views

Last post by support_vasp
Wed Sep 11, 2024 2:43 pm
cohesive energy

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by gueddida » Fri Apr 08, 2011 1:31 pm

1 Replies

918 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
FFT grid and cutoff energy.

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by zhaohs.dft » Tue May 31, 2011 5:05 pm

1 Replies

1123 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Chemical potential of N2

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by okeke » Fri Jul 15, 2011 12:35 am

1 Replies

1364 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Effective pressure due to surface tension

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by chris_feigl » Tue May 31, 2011 1:04 pm

1 Replies

1213 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
forrtl: severe (41): insufficient virtual memory

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by s9811016 » Thu Apr 07, 2011 1:26 pm

1 Replies

2935 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm
Of DOS projected on localized molecular orbital

Last post by support_vasp « Wed Sep 11, 2024 2:42 pm
Replies: 1
by yellowice » Thu Jul 14, 2011 1:33 pm

1 Replies

1030 Views

Last post by support_vasp
Wed Sep 11, 2024 2:42 pm

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