Search found 15 matches
- Sat Jan 07, 2017 4:55 pm
- Forum: The CASINO program
- Topic: runqmc stops without any error.
- Replies: 7
- Views: 39693
runqmc stops without any error.
Dear users, The runqmc stops before finishing the calculations without any error, instead it says "Job is finished" in OUT file. Please do needful in this regard. CASINO VERSION="v2.13.602 [Mike Towler] (12 December 2016)" OS : Ububtu 16.04 gfortran version 5.4.0 FFLAGS_opt = -Of...
- Wed Aug 10, 2016 10:22 am
- Forum: The CASINO program
- Topic: Simulation cell and primitive cell
- Replies: 5
- Views: 18407
Re: Simulation cell and primitive cell
Dear Jhalak, If you have eight unit cells in your simulation cell (2x2x2 primitive cells) and your primitive cell contains n electrons then the number of electrons in your simulation cell is N=8n . The number of primitive lattice points in the simulation cell must be eight. If you are relaxing the ...
- Fri Mar 27, 2015 8:22 am
- Forum: The CASINO program
- Topic: FREE_ORBS ?
- Replies: 4
- Views: 10694
Re: FREE_ORBS ?
Thank you Sir. It fixed the error. 
- Thu Mar 26, 2015 2:40 pm
- Forum: The CASINO program
- Topic: FREE_ORBS ?
- Replies: 4
- Views: 10694
Re: FREE_ORBS ?
Dear Sir,
Thank you for reply. Here I have attached the correlation.data and input file that is created to study the fluid phase of the electron-hole bi-layer quantum system as a beginner.
Thank you for reply. Here I have attached the correlation.data and input file that is created to study the fluid phase of the electron-hole bi-layer quantum system as a beginner.
- Wed Mar 25, 2015 9:13 am
- Forum: The CASINO program
- Topic: FREE_ORBS ?
- Replies: 4
- Views: 10694
FREE_ORBS ?
How do I use 'FREE_ORBS' block in correlation.data file to write linear combination of plane-wave and polynomial pairing orbital? I have used START PAIRING ... END PAIRING block (as mentioned in the manual) in the correlation.data file but when I run it an error encountered "ERROR: Unknown bloc...