.. |
check-cp.x.j
|
- paramagnetic O2 molecule test added
|
2009-09-06 17:27:25 +00:00 |
h2o-mt-blyp.in1
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
h2o-mt-blyp.in2
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
h2o-mt-blyp.in3
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
h2o-mt-blyp.in4
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
h2o-mt-blyp.ref1
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
h2o-mt-blyp.ref2
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
h2o-mt-blyp.ref3
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
h2o-mt-blyp.ref4
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
o2-us-para-pbe.in1
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
o2-us-para-pbe.in2
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
o2-us-para-pbe.in3
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
o2-us-para-pbe.in4
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
o2-us-para-pbe.in5
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
o2-us-para-pbe.in6
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
o2-us-para-pbe.ref1
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
o2-us-para-pbe.ref2
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
o2-us-para-pbe.ref3
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
o2-us-para-pbe.ref4
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
o2-us-para-pbe.ref5
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
o2-us-para-pbe.ref6
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
si-vbc-lda.in1
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
si-vbc-lda.in2
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
si-vbc-lda.in3
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
si-vbc-lda.ref1
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
si-vbc-lda.ref2
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
si-vbc-lda.ref3
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
sio2-us-lda.in1
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
sio2-us-lda.in2
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
sio2-us-lda.in3
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
sio2-us-lda.in4
|
variables nelec, nelup and neldw removed from input
|
2009-09-18 13:30:27 +00:00 |
sio2-us-lda.ref1
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
sio2-us-lda.ref2
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
sio2-us-lda.ref3
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |
sio2-us-lda.ref4
|
CP tests updated. Please check!
|
2010-03-21 10:43:00 +00:00 |